Publications
The Research Computing Center's (RCC) resources and staff support a number of faculty projects that have resulted in published academic papers. See below for a list of papers acknowledging the RCC for providing computational resources, support, and services.
If you have published a paper that acknowledged RCC and it is not listed below please contact us with the appropriate citation information. For information on how to cite or acknowledge RCC in your publications see Acknowledging the RCC.
2024
Synthesis of a potassium capped terminal cobalt–oxido complex
Sophie W. Anferov, Alexandra Krupinski, and John S. Anderson
Constraints on compact objects from the Dark Energy Survey five-year supernova sample
P. Shah, T. M. Davis, M. Vincenzi, P. Armstrong, D. Brout, R. Camilleri, L. Galbany, J. García-Bellido, M. S. S. Gill, O. Lahav, J. Lee, C. Lidman, A. Möller, M. Sako, B. O. Sánchez, M. Sullivan, L. Whiteway, P. Wiseman, S. Allam, M. Aguena, S. Bocquet, D. Brooks, D. L. Burke, A. Carnero Rosell, L. N. da Costa, M. E. S. Pereira, S. Desai, S. Dodelson, P. Doel, I. Ferrero, B. Flaugher, J. Frieman, E. Gaztanaga, D. Gruen, R. A. Gruendl, G. Gutierrez, K. Herner, S. R. Hinton, D. L. Hollowood, K. Honscheid, D. J. James, K. Kuehn, S. Lee, J. L. Marshall, J. Mena-Fernández, R. Miquel, J. Myles, A. Palmese, A. Pieres, A. A. Plazas Malagón, A. Roodman, S. Samuroff, E. Sanchez, I. Sevilla-Noarbe, M. Smith, E. Suchyta, M. E. C. Swanson, G. Tarle, C. To, V. Vikram, and N. Weaverdyck
Mesomeric control of the optoelectronic properties of polymerized small molecule acceptors
Diego Sorbelli, Yilei Wu, Zhenan Bao, and Giulia Galli
Charge Scaling in Classical Force Fields for Lithium Ions in Polymers
Dongyue Liang, Yuxi Chen, Chuting Deng, and Juan J. de Pablo
Quantitative insights into the mechanism of proton conduction and selectivity for the human voltage-gated proton channel Hv1
Yu Liu, Chenghan Li, J. Alfredo Freites, Douglas J. Tobias, and Gregory A. Voth
Ion Transport at Polymer–Argyrodite Interfaces
Yuxi Chen, Dongyue Liang, Elizabeth M. Y. Lee, Sokseiha Muy, Maxime Guillaume, Marc-David Braida, Antoine A. Emery, Nicola Marzari, and Juan J. de Pablo
Structural, Ionic, and Electronic Properties of Solid-State Phthalimide-Containing Polymers for All-Organic Batteries
Riccardo Alessandri, Cheng-Han Li, Sheila Keating, Khirabdhi T. Mohanty, Aaron Peng, Jodie L. Lutkenhaus, Stuart J. Rowan, Daniel P. Tabor, and Juan J. de Pablo
The simplicity of protein sequence-function relationships
Yeonwoo Park, Brian P. H. Metzger, and Joseph W. Thornton
Climate, demography, immunology, and virology combine to drive two decades of dengue virus dynamics in Cambodia
Cara E. Brook, Carly Rozins, Jennifer A. Bohl, Vida Ahyong, Sophana Chea, Liz Fahsbender, Rekol Huy, Sreyngim Lay, Rithea Leang, Yimei Li, Chanthap Lon, Somnang Man, Mengheng Oum, Graham R. Northrup, Fabiano Oliveira, Andrea R. Pacheco, Daniel M. Parker, Katherine Young, Michael Boots, Cristina M. Tato, Joseph L. DeRisi, Christina Yek, and Jessica E. Manning
Quantum-Inspired Classical Algorithm for Graph Problems by Gaussian Boson Sampling
Changhun Oh, Bill Fefferman, Liang Jiang, and Nicolás Quesada
Pattern formation in odd viscoelastic fluids
Carlos Floyd, Aaron R. Dinner, and Suriyanarayanan Vaikuntanathan
Transport coefficient approach for characterizing nonequilibrium dynamics in soft matter
HongRui He, Heyi Liang, Miaoqi Chu, Zhang Jiang, Juan J. de Pablo, Matthew V. Tirrell, Suresh Narayanan, and Wei Chen
Exact Results for a Boundary-Driven Double Spin Chain and Resource-Efficient Remote Entanglement Stabilization
Andrew Lingenfelter, Mingxing Yao, Andrew Pocklington, Yu-Xin Wang, Abdullah Irfan, Wolfgang Pfaff, and Aashish A. Clerk
Hyper-diverse antigenic variation and resilience to transmission-reducing intervention in falciparum malaria
Qi Zhan, Qixin He, Kathryn E. Tiedje, Karen P. Day, and Mercedes Pascual
Phylogeny structures species' interactions in experimental ecological communities
Paula Lemos-Costa, Zachary R. Miller, and Stefano Allesina
Native mass spectrometry and structural studies reveal modulation of MsbA–nucleotide interactions by lipids
Tianqi Zhang, Jixing Lyu, Bowei Yang, Sangho D. Yun, Elena Scott, Minglei Zhao, and Arthur Laganowsky
A robust model for cell type-specific interindividual variation in single-cell RNA sequencing data
Minhui Chen and Andy Dahl
Electrodynamic Interference and Induced Polarization in Nanoparticle-Based Optical Matter Arrays
Curtis Peterson, John Parker, Emmanuel Valenton, Yuval Yifat, Shiqi Chen, Stuart A. Rice, and Norbert F. Scherer
A digital twin of the infant microbiome to predict neurodevelopmental deficits
Nicholas Sizemore, Kaitlyn Oliphant, Ruolin Zheng, Camilia R. Martin, Erika C. Claud, and Ishanu Chattopadhyay
Prediction of the essential intermolecular contacts for side-binding of VASP on F-actin
Fikret Aydin, Harshwardhan H. Katkar, Alisha Morganthaler, Alyssa J. Harker, David R. Kovar, and Gregory A. Voth
Trans-eQTL mapping in gene sets identifies network effects of genetic variants
Lili Wang, Nikita Babushkin, Zhonghua Liu, and Xuanyao Liu
Shaping immunity: The influence of natural selection on population immune diversity
Haley E. Randolph, Katherine A. Aracena, Yen-Lung Lin, Zepeng Mu, and Luis B. Barreiro
Molecular dynamics simulations of HIV-1 matrix-membrane interactions at different stages of viral maturation
Puja Banerjee, Kun Qu, John A.G. Briggs, and Gregory A. Voth
Uncooled High Detectivity Mid-Infrared Photoconductor Using HgTe Quantum Dots and Nanoantennas
Augustin Caillas and Philippe Guyot-Sionnest
Motor crosslinking augments elasticity in active nematics
Steven A. Redford, Jonathan Colen, Jordan L. Shivers, Sasha Zemsky, Mehdi Molaei, Carlos Floyd, Paul V. Ruijgrok, Vincenzo Vitelli, Zev Bryant, Aaron R. Dinner, and Margaret L. Gardel
HIV-1 capsid shape, orientation, and entropic elasticity regulate translocation into the nuclear pore complex
Arpa Hudait and Gregory A. Voth
PySAGES: flexible, advanced sampling methods accelerated with GPUs
Pablo F. Zubieta Rico, Ludwig Schneider, Gustavo R. Pérez-Lemus, Riccardo Alessandri, Siva Dasetty, Trung D. Nguyen, Cintia A. Menéndez, Yiheng Wu, Yezhi Jin, Yinan Xu, Samuel Varner, John A. Parker, Andrew L. Ferguson, Jonathan K. Whitmer, and Juan J. de Pablo
Dynamics of activation in the voltage-sensing domain of Ciona intestinalis phosphatase Ci-VSP
Spencer C. Guo, Rong Shen, Benoît Roux, and Aaron R. Dinner
Fluorination promotes lithium salt dissolution in borate esters for lithium metal batteries
Peiyuan Ma, Ritesh Kumar, Minh Canh Vu, Ke-Hsin Wang, Priyadarshini Mirmira, and Chibueze V. Amanchukwu
AI Can Identify Solar System Instability Billions of Years in Advance
Dorian S. Abbot, J. D. Laurence-Chasen, Robert J. Webber, David M. Hernandez, and Jonathan Weare
Donor-acceptor pairs in wide-bandgap semiconductors for quantum technology applications
Anil Bilgin, Ian N. Hammock, Jeremy Estes, Yu Jin, Hannes Bernien, Alexander A. High, and Giulia Galli
2023
Entropic Penalty Switches Li+ Solvation Site Formation and Transport Mechanisms in Mixed Polarity Copolymer Electrolytes
Chuting Deng, Peter Bennington, Regina J. Sánchez-Leija, Shrayesh N. Patel, Paul F. Nealey, and Juan J. de Pablo
OpenMSCG: A Software Tool for Bottom-Up Coarse-Graining
Yuxing Peng, Alexander J. Pak, Aleksander E. P. Durumeric, Patrick G. Sahrmann, Sriramvignesh Mani, Jaehyeok Jin, Timothy D. Loose, Jeriann Beiter, and Gregory A. Voth
Denoising Autoencoder Trained on Simulation-Derived Structures for Noise Reduction in Chromatin Scanning Transmission Electron Microscopy
Walter Alvarado, Vasundhara Agrawal, Wing Shun Li, Vinayak P. Dravid, Vadim Backman, Juan J. de Pablo, and Andrew L. Ferguson
Monte Carlo Simulations of Water Adsorption in Aluminum Oxide Rod-Based Metal–Organic Frameworks
Saumil Chheda, WooSeok Jeong, Nikita Hanikel, Laura Gagliardi, and J. Ilja Siepmann
Theoretical Investigation of Single-Molecule-Magnet Behavior in Mononuclear Dysprosium and Californium Complexes
Debmalya Ray, Meagan S. Oakley, Arup Sarkar, Xiaojing Bai, and Laura Gagliardi
Non-Covalent Interactions Mimic the Covalent: An Electrode-Orthogonal Self-Assembled Layer
Deepak Badgurjar, Madison Huynh, Benjamin Masters, and Anna Wuttig
Acidic Conditions Impact Hydrophobe Transfer across the Oil–Water Interface in Unusual Ways
Sijia Chen, Zhefu Li, and Gregory A. Voth
Statistical Mechanical Design Principles for Coarse-Grained Interactions across Different Conformational Free Energy Surfaces
Jaehyeok Jin and Gregory A. Voth
Fast and Robust Geometric Two-Qubit Gates for Superconducting Qubits and beyond
F. Setiawan, Peter Groszkowski, and Aashish A. Clerk
Turbulence through sustained vortex ring collisions
Takumi Matsuzawa, Noah P. Mitchell, Stéphane Perrard, and William T. M. Irvine
Entanglements via Slip Springs with Soft, Coarse-Grained Models for Systems Having Explicit Liquid–Vapor Interfaces
Ludwig Schneider and Juan J. de Pablo
Generalizations of the Jaccard index and Sørensen index for assessing agreement across multiple readers in object detection and instance segmentation in biomedical imaging
Madeleine S. Durkee, Kyle Lleras, Karen Drukker, Junting Ai, Thao Cao, Gabriel Casella, Deepjyoti Ghosh, Marcus R. Clark, and Maryellen L. Giger
Metacognition bridges experiences and beliefs in Sense of Agency
John Veillette, Letitia Ho, and Howard Nusbaum
Permutation-based group sequential analyses for cognitive neuroscience
John P. Veillette, Letitia Ho, and Howard C. Nusbaum
Fast upper-level jet stream winds get faster under climate change
Tiffany A. Shaw and Osamu Miyawaki
GoM DE: interpreting structure in sequence count data with differential expression analysis allowing for grades of membership
Peter Carbonetto, Kaixuan Luo, Abhishek Sarkar, Anthony Hung, Karl Tayeb, Sebastian Pott, and Matthew Stephens
Functional brain connectivity predicts sleep duration in youth and adults
Anurima Mummaneni, Omid Kardan, Andrew J. Stier, Taylor A. Chamberlain, Alfred F. Chao, Marc G. Berman, and Monica D. Rosenberg
What We Teach About Race and Gender: Representation in Images and Text of Children’s Books
Anjali Adukia, Alex Eble, Emileigh Harrison, Hakizumwami Birali Runesha, and Teodora Szasz
Challenge of Small Energy Differences in Metal–Organic Framework Reactivity
Noah Dohrmann, Daniel S. King, Carlo A. Gaggioli, and Laura Gagliardi
All-photonic Gottesman-Kitaev-Preskill–qubit repeater using analog-information-assisted multiplexed entanglement ranking
Filip Rozpędek, Kaushik P. Seshadreesan, Paul Polakos, Liang Jiang, and Saikat Guha
Measuring response functions of active materials from data
Mehdi Molaei, Steven A. Redford, Wen-Hung Chou, Danielle Scheff, Juan J. de Pablo, Patrick W. Oakes, and Margaret L. Gardel
Electrochemical Reduction of N2O with a Molecular Copper Catalyst
Jorge L. Martinez, Joseph E. Schneider, Sophie W. Anferov, and John S. Anderson
A new Bayesian factor analysis method improves detection of genes and biological processes affected by perturbations in single-cell CRISPR screening
Yifan Zhou, Kaixuan Luo, Lifan Liang, Mengjie Chen, and Xin He
Engineering the formation of spin-defects from first principles
Cunzhi Zhang, Francois Gygi, and Giulia Galli
Binning is Sinning: Redemption for Hubble Diagram Using Photometrically Classified Type Ia Supernovae
R. Kessler, M. Vincenzi, and P. Armstrong
Large-scale neural dynamics in a shared low-dimensional state space reflect cognitive and attentional dynamics
Hayoung Song, Won Mok Shim, and Monica D Rosenberg
Single-cell genomics improves the discovery of risk variants and genes of atrial fibrillation
Alan Selewa, Kaixuan Luo, Michael Wasney, Linsin Smith, Xiaotong Sun, Chenwei Tang, Heather Eckart, Ivan P. Moskowitz, Anindita Basu, Xin He, and Sebastian Pott
Thermal Conductivity of Water at Extreme Conditions
Cunzhi Zhang, Marcello Puligheddu, Linfeng Zhang, Roberto Car, and Giulia Galli
Elucidating the Molecular Mechanism of CO2 Capture by Amino Acid Ionic Liquids
Bohak Yoon and Gregory A. Voth
A flexible empirical Bayes approach to multivariate multiple regression, and its improved accuracy in predicting multi-tissue gene expression from genotypes
Fabio Morgante, Peter Carbonetto, Gao Wang, Yuxin Zou, Abhishek Sarkar, Matthew Stephens
Robust Relationship Between Midlatitudes CAPE and Moist Static Energy Surplus in Present and Future Simulations
Ziwei Wang and Elisabeth J. Moyer
Quantum Vibronic Effects on the Electronic Properties of Molecular Crystals
Arpan Kundu and Giulia Galli
Isotopic Enrichment Resulting from Differential Condensation of Methane Isotopologues Involving Non-equilibrium Gas–Surface Collisions Modeled with Molecular Dynamics Simulations
Michelle R. Brann, Xinyou Ma, and S. J. Sibener
CUDA-aware MPI implementation of Gibbs sampling for an IRT model
William S. Welling, Yanyan Sheng, & Michelle M. Zhu
Unveiling the catalytic mechanism of GTP hydrolysis in microtubules
Daniel Beckett and Gregory A. Voth
Learning to learn by using nonequilibrium training protocols for adaptable materials
Martin J. Falk, Jiayi Wu, Ayanna Matthews, Vedant Sachdeva, Nidhi Pashine, Margaret L. Gardel, Sidney R. Nagel, and Arvind Murugan
The structure of phosphatidylinositol remodeling MBOAT7 reveals its catalytic mechanism and enables inhibitor identification
Kun Wang, Chia-Wei Lee, Xuewu Sui, Siyoung Kim, Shuhui Wang, Aidan B. Higgs, Aaron J. Baublis, Gregory A. Voth, Maofu Liao, Tobias C. Walther & Robert V. Farese Jr
A unified model for the dynamics of ATP-independent ultrafast contraction
Carlos Floyd, Arthur T. Molines, Xiangting Lei, Jerry E. Honts, Fred Chang, Mary Williard Elting, Suriyanarayanan Vaikuntanathan, Aaron R. Dinner, and M. Saad Bhamla
Neutral vs. non-neutral genetic footprints of Plasmodium falciparum multiclonal infections
Labbé, Frédéric; He, Qixin; Zhan, Qi; Tiedje, Kathryn E.; Argyropoulos, Dionne C.; Tan, Mun Hua; Ghansah, Anita; et al.
Density Matrix Embedding Using Multiconfiguration Pair-Density Functional Theory
Abhishek Mitra, Matthew R. Hermes, and Laura Gagliardi
Toward improved loading, cooling, and trapping of molecules in magneto-optical traps
T K Langin and D DeMille
Narrow range of early habitable Venus scenarios permitted by modeling of oxygen loss and radiogenic argon degassing
Alexandra O. Warren, Edwin S. Kite
Inequality constrained stochastic nonlinear optimization via active-set sequential quadratic programming
Sen Na, Mihai Anitescu, Mladen Kolar
Computational design of self-assembling peptide chassis materials for synthetic cells
Y. Ma, R. Kapoor, B. Sharma, A.P. Liu, A.L. Ferguson
Propagating motor cortical patterns of excitability are ubiquitous across human and non-human primate movement initiation
Karthikeyan Balasubramanian, Fritzie I. Arce-McShane, Brian M. Dekleva, Jennifer L. Collinger, and Nicholas G. Hatsopoulos
2022
Accurate pKa Calculations in Proteins with Reactive Molecular Dynamics Provide Physical Insight Into the Electrostatic Origins of Their Values
Joshua Zuchniarz, Yu Liu, Chenghan Li, and Gregory A. Voth
Preparation of metrological states in dipolar-interacting spin systems
Tian-Xing Zheng, Anran Li, Jude Rosen, Sisi Zhou, Martin Koppenhöfer, Ziqi Ma, Frederic T. Chong, Aashish A. Clerk, Liang Jiang, and Peter C. Maurer
Evolutionary insights into primate skeletal gene regulation using a comparative cell culture model
Housman, Genevieve; Briscoe, Emilie; Gilad, Yoav
Modeling hepatitis C micro-elimination among people who inject drugs with direct-acting antivirals in metropolitan Chicago
Tatara, Eric; Gutfraind, Alexander; Collier, Nicholson T.; Echevarria, Desarae; Cotler, Scott J.; Major, Marian E.; et al.
Analysis of the extent of limbic system changes in multiple sclerosis using FreeSurfer and voxel-based morphometry approaches
Abuaf, Amanda Frisosky; Bunting, Samuel R.; Klein, Sara; Carroll, Timothy; Carpenter-Thompson, Jake; et al.
Differences in the functional brain architecture of sustained attention and working memory in youth and adults
Kardan, Omid; Stier, Andrew J.; Cardenas-Iniguez, Carlos; Schertz, Kathryn E.; Pruin, Julia C.; Deng, Yuting; et al.
Fine-mapping from summary data with the “Sum of Single Effects” model
Yuxin Zou, Peter Carbonetto, Gao Wang, Matthew Stephens
Empirical evaluation of fully Bayesian information criteria for mixture IRT models using NUTS
Rehab AlHakmani, Yanyan Sheng
Influence of Excess Charge on Water Adsorption on the BiVO4(010) Surface
Wennie Wang, Marco Favaro, Emily Chen, Lena Trotochaud, Hendrik Bluhm, Kyoung-Shin Choi, Roel van de Krol, David E. Starr, and Giulia Galli
Evolution of pi-peptide assembly: from understanding to prediction and control
A.L. Ferguson and J.D. Tovar
Hybrid computational-experimental data-driven design of self-assembling π-conjugated peptides
K. Shmilovich, S.S. Panda, A. Stouffer, J.D. Tovar, and A.L. Ferguson
Computational discovery of high charge mobility self-assembling π-conjugated peptides
K. Shmilovich, Y. Yao, J.D. Tovar, H.E. Katz, A. Schleife, and A.L. Ferguson
Data-driven discovery of cardiolipin-selective small molecules by computational active learning
B. Mohr, K. Shmilovich, I.S. Kleinwächter, D. Schneider, A.L. Ferguson*, and T. Bereau
Active learning of polarizable nanoparticle phase diagrams for the guided design of triggerable self-assembling superlattices
S. Dasetty, I. Coropceanu, J. Porter, J. Li, J.J. de Pablo, D. Talapin, and A.L. Ferguson
Hierarchical self-assembly pathways of polypeptoid helices and sheets
M. Zhao, K.J. Lachowski, S. Alamdari, J. Sampath, P. Mu, C.J. Mundy, J. Pfaendtner, C.-L. Chen, L.D. Pozzo, and A.L. Ferguson
Hydrodynamic Coupling Melts Acoustically Levitated Crystalline Rafts
Brady Wu, Bryan VanSaders, Melody X. Lim, and Heinrich M. Jaeger
Structural basis for lipid and copper regulation of the ABC transporter MsbA
Lyu J, Liu C, Zhang T, Schrecke S, Elam NP, Packianathan C, Hochberg GKA, Russell D, Zhao M, Laganowsky A. S
Multiscale rheology model for entangled Nylon 6 melts
Heyi Liang, Kenji Yoshimoto, Masahiro Kitabata, Umi Yamamoto, Juan J. de Pablo
2021
Using Constrained Density Functional Theory to Track Proton Transfers and to Sample Their Associated Free Energy Surface
Chenghan Li and Gregory A. Voth
Inverse Conformational Selection in Lipid–Protein Binding
Amélie Bacle, Pavel Buslaev, Rebeca Garcia-Fandino, Fernando Favela-Rosales, Tiago Mendes Ferreira, Patrick F. J. FuchsIvan Gushchin, Matti Javanainen, Anne M. Kiirikki, Jesper J. Madsen, Josef Melcr, Paula Milán Rodríguez, Markus S. Miettinen, O. H. Samuli Ollila, Chris G. Papadopoulos, Antonio Peón,Thomas J. Piggot, Ángel Piñeiro, and Salla I. Virtanen
Learning to control active matter
Martin J. Falk, Vahid Alizadehyazdi, Heinrich Jaeger, and Arvind Murugan
Analytic Design of Accelerated Adiabatic Gates in Realistic Qubits: General Theory and Applications to Superconducting Circuits
F. Setiawan, Peter Groszkowski, Hugo Ribeiro, and Aashish A. Clerk
Probing the Coherence of Solid-State Qubits at Avoided Crossings
Mykyta Onizhuk, Kevin C. Miao, Joseph P. Blanton, He Ma, Christopher P. Anderson, Alexandre Bourassa, David D. Awschalom, and Giulia Galli
A strong nonequilibrium bound for sorting of cross-linkers on growing biopolymers
Yuqing Qiu, Michael Nguyen, Glen M. Hocky, Aaron R. Dinner, and Suriyanarayanan Vaikuntanathan
Phylogeny of the damselfishes (Pomacentridae) and patterns of asymmetrical diversification in body size and feeding ecology
McCord, Charlene L.; Nash, Chloe M.; Cooper, W. James; Westneat, Mark W.
An antigenic diversification threshold for falciparum malaria transmission at high endemicity
Qixin He, Mercedes Pascual
RNA-binding protein syncrip regulates starvation-induced hyperactivity in adult Drosophila
Wanhao Chi, Wei Liu, Wenqin Fu, Shengqian Xia, Ellie S. Heckscher, Xiaoxi Zhuang
Quantum repeaters based on concatenated bosonic and discrete-variable quantum codes
Filip Rozpędek, Kyungjoo Noh, Qian Xu, Saikat Guha, Liang Jiang
Kinetics of Phenol Escape from the Insulin R6 Hexamer
Adam Antoszewski, Chatipat Lorpaiboon, John Strahan, and Aaron R. Dinner
Structural Ensemble of the Insulin Monomer
Luis Busto-Moner, Chi-Jui Feng, Adam Antoszewski, Andrei Tokmakoff, and Aaron R. Dinner
Spatiotemporal control of liquid crystal structure and dynamics through activity patterning
Zhang, R., Redford, S.A., Ruijgrok, P.V. et al.
Determining sequence-dependent DNA oligonucleotide hybridization and dehybridization mechanisms using coarse-grained molecular simulation, Markov state models, and infrared spectroscopy
M.S. Jones, B. Ashwood, A. Tokmakoff, and A.L. Ferguson
Computationally guided tuning of peptide-conjugated perylene diimide self-assembly
S.S. Panda, K. Shmilovich, S.M. Herringer, N.J. Marin, A.L. Ferguson, and J.D. Tovar
Tetranucleosome interactions drive chromatin folding
W. Alvarado, J. Moller, A.L. Ferguson*, and J.J. de Pablo
Inverse design of self-assembling diamond photonic lattices from anisotropic colloidal clusters
Y. Ma, J. Aulicino, and A.L. Ferguson
Autobahn: Automorphism-based Graph Neural Nets
Erik Thiede, Wenda Zhou, Risi Kondor
Stressed Lipid Droplets: How Neutral Lipids Relieve Surface Tension and Membrane Expansion Drives Protein Association
Siyoung Kim, Myong In Oh, and Jessica M. J. Swanson
Physical Characterization of Triolein and Implications for Its Role in Lipid Droplet Biogenesis
Siyoung Kim, Gregory A. Voth
2020
Effect of directed aging on nonlinear elasticity and memory formation in a material
Daniel Hexner, Nidhi Pashine, Andrea J. Liu, and Sidney R. Nagel
A Unification of the Holstein Polaron and Dynamic Disorder Pictures of Charge Transport in Organic Crystals
Jonathan H. Fetherolf, Denis Golež, and Timothy C. Berkelbach
Continual Learning of Multiple Memories in Mechanical Networks
Menachem Stern, Matthew B. Pinson, and Arvind Murugan
Chromatin-enriched RNAs mark active and repressive cis-regulation: An analysis of nuclear RNA-seq
Sun, Xiangying; Wang, Zhezhen; Hall, Johnathon M.; Perez-Cervantes, Carlos; Ruthenburg, Alexander J.; et al.
Practical considerations for measuring the effective reproductive number, Rt
Katelyn M. Gostic, Lauren McGough, Edward B. Baskerville, Sam Abbott, Keya Joshi, Christine Tedijanto, Rebecca Kahn, Rene Niehus, James A. Hay, Pablo M. De Salazar, Joel Hellewell, Sophie Meakin, James D. Munday, Nikos I. Bosse, Katharine Sherrat, Robin N. Thompson, Laura F. White, Jana S. Huisman, Jérémie Scire, Sebastian Bonhoeffer, Tanja Stadler, Jacco Wallinga, Sebastian Funk, Marc Lipsitch, Sarah Cobey
A human-machine partnered approach for identifying social media signals of elevated traumatic grief in Chicago gang territories
Forrest Stuart, Alicia Riley, Hossein Pourreza
A Fast Algorithm for Maximum Likelihood Estimation of Mixture Proportions Using Sequential Quadratic Programming
Youngseok Kim, Peter Carbonetto, Matthew Stephens & Mihai Anitescu
Evidence for H2 Dissociation and Recombination Heat Transport in the Atmosphere of KELT-9b
Megan Mansfield et al.
MARTINI-compatible coarse-grained model for the mesoscale simulation of peptoids
M. Zhao, J. Sampath, S. Alamdari, G. Shen, C.-L. Chen, C.J. Mundy, J. Pfaendtner, and A.L. Ferguson
Computationally guided tuning of amino acid configuration influences the chiroptical properties of supramolecular peptide-π-peptide nanostructures
S. Panda, K. Shmilovich, A.L. Ferguson, and J.D. Tovar
Free-energy calculations of the functional selectivity of 5-HT2B G protein coupled receptor
B.L. Peters, J. Deng, and A.L. Ferguson
Effect of core oligomer length on the phase behavior and assembly of π-conjugated peptides
E. Jira, K. Shmilovich, T. Kale, A.L. Ferguson, J.D. Tovar, and C. Schroeder
Discovery of self-assembling π-conjugated peptides by active learning-directed coarse-grained molecular simulation
K. Shmilovich, R.A. Mansbach, H. Sidky, O.E. Dunne, S.S. Panda, J.D. Tovar, and A.L. Ferguson
Lorentz Group Equivariant Neural Network for Particle Physics
Alexander Bogatskiy, Brandon Anderson, Jan T. Offermann, Marwah Roussi, David W. Miller, and Risi Kondor
The Surface and Hydration Properties of Lipid Droplets
Siyoung Kim, Jessica M.J. Swanson
2019
Reproducible big data science: A case study in continuous FAIRness
Madduri, Ravi; Chard, Kyle; D'Arcy, Mike; Jung, Segun C.; Rodriguez, Alexis; Sulakhe, Dinanath; Deutsch, Eric; et al.
A modeling framework to inform preexposure prophylaxis initiation and retention scale-up in the context of ‘Getting to Zero’ initiatives
Khanna, Aditya et al.,
Ab Initio Linear and Pump-Probe Spectroscopy of Excitons in Molecular Crystals
Alan M. Lewis and Timothy C. Berkelbach
Alternative polyadenylation mediates genetic regulation of gene expression
Briana Mittleman, Sebastian Pott, Shane Warland, Tony Zeng, Mayher Kaur,Yoav Gilad, Yang I Li
An Embarrassingly Parallel Method for Large-Scale Stochastic Programs
Burhaneddin Sandıkçı, Osman Y. Özaltın
Assessing Fit in Ordinal Factor Analysis Models: SRMR vs. RMSEA
Dexin Shi, Alberto Maydeu-Olivares & Yves Rosseel
Community Collections: A Framework for Openly Sharing Software Stacks Across Research Computing Centers Using Singularity and Lmod
Kevin Manalo et al.
Compatible observable decompositions for coarse-grained representations of real molecular systems
Thomas Dannenhoffer-Lafage, Jacob W. Wagner, Aleksander E. P. Durumeric, and Gregory A.Voth
Comprehensive estimate of the sensitivity of ANITA to tau neutrinos
Stephanie Wissel et al
Concept Study for the Beamforming Elevated Array for Cosmic Neutrinos
Stephanie Wissel et al
Constraints on the ultrahigh-energy cosmic neutrino flux from the fourth flight of ANITA
P. W. Gorham et al.
Design and learning in multi-stable mechanical networks
Stern, Menachem; Pinson, Matthew; Murugan, Arvind
Design patterns for data-driven research acceleration
Rachana Ananthakrishnan, Kyle Chard, and Ian Foster
Developing and Testing of Lipid Force Fields with Applications toModeling Cellular Membranes
Alison N. Leonard, Eric Wang, Viviana Monje-Galvan, and Jeffery B. Klauda
Emulating Satellite Drag from Large Simulation Experiments
Furong Sun, Robert B. Gramacy, Benjamin Haaland, Earl Lawrence, and Andrew Walker
Experimental Evidence for pKa‑Driven Asynchronicity in C−HActivation by a Terminal Co(III)−Oxo Complex
McKenna K. Goetz and John S. Anderson
Semi–Synthetic Dataset for the Evaluation of Motion Compensation Approaches for Voltage Sensitive Dye Imaging
Philipp Flotho, Lars Haab, David Eckert, Kazutaka Takahashi, Karsten Schwerdtfeger, Daniel J. Strauss
Performance of T2 Maps in the Detection of Prostate Cancer
A. Chatterjee, A. Devaraj, M. Mathew, T. Szasz, T. Antic, G.S. Karczmar and A. Oto
Machine Learning Prediction of Accurate Atomization Energies of Organic Molecules from Low-Fidelity Quantum Chemical Calculations
L. Ward, B. Blaiszik, I. Foster, R. S. Assary, B. Narayanan, and L. Curtiss
Optimized Compilation of Aggregated Instructions for Realistic Quantum Computers
Y.Shi et al.,
Discovery and characterization of variance QTLs in human induced pluripotent stem cells
A. K. Sarkar , P-Y. Tung , J. D. Blischak, J. E. Burnett, Y. I. Li, M. Stephens, and Y. Gilad
Characterization and valuation of uncertainty of calibrated parameters in stochastic decision models
F. A.-Escudero, A. B. Knudsen, J. Ozik, N. Collier, and K. M. Kuntz
Reversible homolytic activation of water via metal–ligand cooperativity in a T-shaped Ni(II) complex
M-C. Chang , K. A. Jesse , A. S. Filatov and J. S. Anderson
Script of Scripts: A pragmatic workflow system for daily computational research
G. Wang, and B. Peng
Vertex Corrections to the Polarizability Do Not Improve the GW Approximation for the Ionization Potential of Molecules
Quantifying in situ adaptive immune cell cognate interactions in humans
V. M. Liarski et al.,
The histone methyltransferase EZH2 primes the early differentiation of follicular helper T cells during acute viral infection
X. Chen et al.,
A Search for Optical Emission from Binary Black Hole Merger GW170814 with the Dark Energy Camera
Z. Doctor et al.,
Superheavy Dark Matter and ANITA's Anomalous Events
D. Hooper, S. Wegsman, C. Deaconu, and A. Vieregg
Qresp, a tool for curating, discovering and exploring reproducible scientific papers
M. Govoni, M. Munakami, A. Tanikanti, J. H. Skone, H. B. Runesha, F. Giberti, J. de Pablo and G. Galli
Vertex Corrections to the Polarizability Do Not Improve the GW Approximation for the Ionization Potential of Molecules
A.M. Lewis and T. C. Berkelbach
Ab Initio Lifetime and Concomitant Double-Excitation Character of Plasmons at Metallic Densities
A.M. Lewis and T. C. Berkelbach
Nanocrystals in Molten Salts and Ionic Liquids: Experimental Observation of Ionic Correlations Extending beyond the Debye Length.
V. Kamysbayev et al.,
The XENON1T Data Distribution and Processing Scheme
D. Ahlin et al.,
Effects of Radius and Gravity on the Inner Edge of the Habitable Zone
H. Yang, T. D. Komacek, and D. S. Abbot
Design and performance of an interferometric trigger array for radio detection of high-energy neutrinos
P.Allison et al.,
Propagating patterns of activity across motor cortex facilitate movement initiation
K. Balasubramanian, V. Papadourakis, W. Liang, K. Takahashi, M. D Best, A. J Suminski, and N. G. Hatsopoulos
A Spatial Knowledge Economy
D. R. Davis and J. I. Dingel
How Segregated Is Urban Consumption?
D. R. Davis, J. I. Dingel, J. Monras and E. Morales
Orientational Dynamics of Transition Dipoles and Exciton Relaxation in LH2 from Ultrafast Two-Dimensional Anisotropy
S.C. Massey et al.,
Multiscale model of integrin adhesion assembly
T. C Bidone, A. V Skeeters, P. W Oakes, G. A Voth
Directed aging, memory and Nature's greed
N. Pashine, D. Hexner, A J. Liu and S. R. Nagel
Simulations of Water Vapor and Clouds on Rapidly Rotating and Tidally Locked Planets: A 3D Model Intercomparison
J. Yang et al.,
Parsl: Pervasive Parallel Programming in Python
Y. Babuji et al.,
The self-tuned sensitivity of circadian clocks
K. Husain, W. Pittayakanchit, G. Pattanayak, M. J Rust, and A. Murugan
icemc: A Monte Carlo Simulation for Cosmogenic Neutrinos interacting in the Antarctic ice as viewed by the Antarctic Impulsive Transient Antenna (ANITA)
L. Cremonesi et al.,
Ena/VASP processive elongation is modulated by avidity on actin filaments bundled by the filopodia crosslinker fascin
A. J. Harker et al.,
Tidally-Distorted, Iron-Enhanced Exoplanets Closely Orbiting Their Stars
E. M. Price and L. A. Rogers
Mycolactone Toxin Membrane Permeation: Atomistic versus Coarse-Grained MARTINI Simulations
F. Aydin, R. Sun, J.M.J. Swanson
First cosmology results using Type Ia supernova from the Dark Energy Survey: simulations to correct supernova distance biases
R. Kessler et al.,
Swampland conjectures and late-time cosmology
M. Raveri, W. Hu, and S. Sethi
Acoustic Dark Energy: Potential Conversion of the Hubble Tension
M -X. Lin, G. Benevento, W. Hu, M. Raveri
The Atmospheric Circulation and Climate of Terrestrial Planets Orbiting Sun-like and M Dwarf Stars over a Broad Range of Planetary Parameters
T. D. Komacek and D. S. Abbot
Challenges in delivering digital content in archival and production environments
Dunham, Brittan; Ming, Candace
Fluctuations and phase transitions of uniaxial and biaxial liquid crystals using a theoretically informed Monte Carlo and a Landau free energy density
S. Villada-Gil, V. Palacio-Betancur, J. C Armas-Pérez, J. J de Pablo and J. P Hernández-Ortiz
OH-Stretch Raman Multivariate Curve Resolution Spectroscopy of HOD/H2O Mixtures
A. A. Kananenka, N. J. Hestand, and J. L. Skinner
Understanding the anharmonic vibrational structure of the carbon dioxide dimer
S. Maystrovsky, M. Keçeli, and O. Sode
Future climate emulations using quantile regressions on large ensembles
M. A. Haugen, M. L. Stein, R. L. Sriver, and E. J. Moyer
THE BUZZARD FLOCK: DARK ENERGY SURVEY SYNTHETIC SKY CATALOGS
J. DeRose et al.,
Beyond Walkers in Stochastic Quantum Chemistry: Reducing Error using Fast Randomized Iteration
S. M. Greene, R. J. Webber, J. Weare, and T. C. Berkelbach
Practical rare event sampling for extreme mesoscale weather
R. J. Webber, D. A. Plotkin, M. E O’Neill, D. S. Abbot, and J.Weare
Multiconfigurational Coarse-Grained Molecular Dynamics
M.E. Sharp et al.,
Maximizing Simulated Tropical Cyclone Intensity With Action Minimization
D. A. Plotkin et al.,
Extracting collective motions underlying nucleosome dynamics via nonlinear manifold learning
A. Z. Guo, J. Lequieu, and J. J. de Pablo
Predicting Returns with Text Data
Z.T. Ke, B.T. Kelly, D. Xiu
Temporal Pattern Recognition through Analog Molecular Computation
J. O’Brien and A. Murugan
What Sets the Slope of the Molecular Kennicutt–Schmidt Relation?
V. A. Semenov, A. V. Kravtsov, and N. Y. Gnedin
Kinetic simulations of mildly relativistic shocks – I. Particle acceleration in high Mach number shocks
P. Crumley, D. Caprioli, S. Markoff and A. Spitkovsky
First Cosmology Results Using SNe Ia from the Dark Energy Survey: Analysis, Systematic Uncertainties, and Validation
D. Brout et al.,
Simultaneous Inference for Pairwise Graphical Models with Generalized Score Matching
Ming Yu, Varun Gupta, and Mladen Kolar
The Free Energy Landscape of Internucleosome Interactions and Its Relation to Chromatin Fiber Structure
J. Moller, J. Lequieu, and J. J. de Pablo
Fault-tolerant preparation of approximate GKP states
Y. Shi, C. Chamberland, and A. Cross
Full proximity treatment of topological superconductors in Josephson-junction architectures
F. Setiawan, Chien-Te Wu, and K. Levin
Persistence of intense, climate-driven runoff late in Mars history
E.S. Kite et al.,
Bottom-up Acceleration of Ultra-High-Energy Cosmic Rays in the Jets of Active Galactic Nuclei
R. Mbarek, and D. Caprioli
Coarse-graining involving virtual sites: Centers of symmetry coarse-graining
J. Jina, Y. Hana, and G. A. Voth
Lensing covariance on cut sky and SPT-Planck lensing tensions
P. Motloch and W. Hu
Mid-IR spectroscopy of supercritical water: From dilute gas to dense fluid
N. J. Hestand, S. E. Strong, L. Shi, and J. L. Skinner
Sculpting stable structures in pure liquids
T. Emeršič et al.,
Two-sample inference for high-dimensional Markov networks
B. Kim, S. Liu, and M. Kolar
Adversarial-Residual-Coarse-Graining: Applying machine learning theory to systematic molecular coarse-graining
A. E. P. Durumeric, and G. A. Voth
Spatial Correlation, Trade, and Inequality: Evidence from the Global Climate
J. I. Dingel, K. C. Meng, S. M. Hsiang
Learned multi-stability in mechanical networks
Menachem Stern, Matthew B. Pinson, Arvind Murugan
Phenomenology of modified gravity at recombination
Meng-Xiang Lin, Marco Raveri, and Wayne Hu
Concordance and discordance in cosmology
Marco Raveri and Wayne Hu
Experimental Evidence for pKa‑Driven Asynchronicity in C−H Activation by a Terminal Co(III)−Oxo Complex
McKenna K. Goetz and John S. Anderson
Systematic Coarse-Grained Lipid Force Fields with Semiexplicit Solvation via Virtual Sites
A.J. Pak et al.,
Reconstructing Gravity on Cosmological Scales
M. Raveri
All-electron density functional calculations for electron and nuclear spin interactions in molecules and solid
K. Ghosh, H. Ma, V. Gavini, and G. Galli
S. Panda, K. Shmilovich, A.L. Ferguson, J.D. Tovar
Cormorant: Covariant Molecular Neural Networks
Brandon Anderson, Truong Son Hy, Risi Kondor
2018
Accurate calculation of side chain packing and free energy with applications to protein molecular dynamics
Jumper, John M.; Faruk, Nabil F.; Freed, Karl F.; Sosnick, Tobin R.
Using pseudoalignment and base quality to accurately quantify microbial community composition
Reppell, Mark; Novembre, John
Large-scale genome-wide enrichment analyses identify new trait-associated genes and pathways across 31 human phenotypes
X. Zhu and M. Stephens
Ab Initio Lifetime and Concomitant Double-Excitation Character of Plasmons at Metallic Densities
A.M. Lewis and T.C. Berkelbach
Vertex corrections to the polarizability do not improve the GW approximation for molecules
A.M. Lewis and T.C. Berkelbach
Estimating city-level travel patterns using street imagery: A case study of using Google Street View in Britain
R. Goel , L. M. T. Garcia, A.Goodman, R. Johnson, R. Aldred, M. Murugesan, S. Brage, K. Bhalla and J. Woodcock
Umbrella sampling: a powerful method to sample tails of distributions
C. Matthews, J. Weare, A. Kravtsov and E. Jennings
A two per cent Hubble constant measurement from standard sirens within five years
H-Y. Chen, M. Fishbach and D.E. Holz
Crater Mound Formation by Wind Erosion on Mars
L.J. Steele, E.S. Kite and T.I. Michaels
A Comparative Assessment of Human and Chimpanzee iPSC-derived Cardiomyocytes with Primary Heart Tissues
B.J. Pavlovic, L.E. Blake, J. Roux, C. Chavarria & Yoav Gilad
Amphiphile-Induced Phase Transition of Liquid Crystals at Aqueous Interfaces
H. Ramezani-Dakhel, M. Rahimi, J. Pendery, Y-K. Kim , S. Thayumanava , B. Roux , N.L. Abbott , and J.J.de Pablo
Evolutionary strategy for inverse charge measurements of dielectric particles
X. Jiang, J. Li, V. Lee, H.M. Jaeger, O.G. Heinonen, and J.J. de Pablo
Molecular transport through membranes: Accurate permeability coefficients from multidimensional potentials of mean force and local diffusion constants
R. Sun, Y. Han, J. M. J. Swanson, J. S. Tan, J. P. Rose, and G. A. Voth
DES Y1 Results: Validating cosmological parameter estimation using simulated Dark Energy Surveys
Maccrann, De Rose et.al.,
Testing Latitudinally Dependent Explanations of the Circulation Response to Increased CO2 Using Aquaplanet Models
T. A. Shaw and Z. Tan
Gating Mechanisms during Actin Filament Elongation by Formins
F. Aydin, N. Courtemanche, T.D. Pollard, and G.A. Voth
Mars obliquity history constrained by elliptic crater orientations
S.J.Holo, E.S.Kite and S.J.Robbins
Shaping the topology of folding pathways in mechanical systems
M. Stern, V. Jayaram and A. Murugan
Inflationary versus reionization features from Planck 2015 data
G. Obied, C. Dvorkin, C. Heinrich, W. Hu, and V. Miranda
Diffusive shock re-acceleration
D. Caprioli, H. Zhang and A. Spitkovsky
Microsimulation Model Calibration using Incremental Mixture Approximate Bayesian Computation
C. Rutter, J. Ozik, M. DeYoreo and N. Collier
Neuroanatomical Correlates of Impulsive Action in Excoriation (Skin-Picking) Disorder
A. W. Blum., S.l R. Chamberlain, M.l D. Harries, B. L. Odlaug, S. A. Redden and J. E. Grant
Describing screening in dense ionic fluids with a charge-frustrated Ising model
N. B. Ludwig, K. Dasbiswas, D. V. Talapin, and S. Vaikuntanathan
Nonequilibrium phase diagrams for actomyosin networks
S.L. Freedman, G.M. Hocky, S. Banerjee and A.R. Dinner
Global patterns of crop yield stability under additional nutrient and water inputs
C. Müller , J. Elliott, et al.,
Constraints On Duty Cycles Of Quasars At Z ∼ 6
H. Chen and N. Y. Gnedin
VC3: A Virtual Cluster Service for Community Computation
L. Bryant, J. Van, B. Riedel, R.W. Gardner, et al. ,
A membrane burial potential with H-bonds and applications to curved membranes and fast simulations
W. Zongan;J. M.Jumper; W. Sheng; K. F. Freed and T.R. Sosnick
Coupling First Principles Calculations of Electron-Electron and Electron-Phonon Scattering, and Applications to Carbon-based Nanostructures
R.L. McAvoy, M.Govoni, and G.Galli
Ligand‐Based Storage of Protons and Electrons in Dihydrazonopyrrole Complexes of Nickel
M‐C. Chang, A. J. McNeece, E. A. Hill, A. S. Filatov, and J. S. Anderson
Influenza incidence prediction for the United States: an update for the 2018-2019 season
X. Du, Y. Peng, M. Liu and M. Pascual
Exploring the phenotypic consequences of tissue specific gene expression variation inferred from GWAS summary statistics
A. N. Barbeira, S. P. Dickinson, R. Bonazzola, J. Zheng, et al.,
A Novel Channel‐Synthesizing Method for Reducing Uncertainties in Satellite Radiative Transfer Modeling
Y. Lu and F. Zhang
Sterically controlled mechanochemistry under hydrostatic pressure
H. Yan, F. Yang, D. Pan et al.,
Dielectric properties of condensed systems composed of fragments
D. Pan, M. Govoni, and G. Galli
Incidence Prediction for the 2017-2018 Influenza Season in the United States with an Evolution-informed Model
X. Du and M. Pascual
Reactive optical matter: light-induced motility in electrodynamically asymmetric nano-scale scatterers
Y. Yifat, D. Coursault, C. W. Peterson, J. Parker, Y. Bao, S. K. Gray, S. A. Rice, and N. F. Scherer
Optical magnetism in core-satellite nanostructures excited by vector beams
J. Parker, S. Gray, N.F. Scherer
Evolutionary conservation of the allosteric activation of factor VIIa by tissue factor in lamprey: comment
J. J. Madsen E. Persson O. H. Olsen
Travel Time to Clinic but not Neighborhood Crime Rate is Associated with Retention in Care Among HIV-Positive Patients
J. P. Ridgway, E. A. Almirol, J. Schmitt, T.Schuble, and J. A. Schneider
Thickness dependence of forming single crystal by liquid-crystalline blue phase on chemically patterned surface
X. Li, J. A. Martinez-Gonzalez, J. J. de Pablo, and P. Nealey
Simultaneous segmentation and classification of multichannel immuno-fluorescently labeled confocal microscopy images using deep convolutional neural networks
A. R. Sibley, V. Liarski, M. Clark, and M. L. Giger
Mineral-Water Interface Structure of Xenotime
A.G. Stack, J.E. Stubbs, S. Roy, S.G. Srinivasan, S. Roy, V.S. Bryantsev, P.J. Eng, R. Custelcean, A.D. Gordon, and C.R. Hexel.
Using Partially-Observed Facebook Networks to Develop a Peer-Based HIV Prevention Intervention: Case Study
A.S. Khanna, S.M. Goodreau, S. Michaels, and J. A. Schneider
Enhanced configurational sampling with hybrid non-equilibrium molecular dynamics–Monte Carlo propagator
D. Suh, B. K. Radak, C. Chipot, and B. Roux
Entropic Forces Drive Clustering and Spatial Localization of Influenza A M2 During Viral Budding
J. J. Madsen, J. M. A. Grime, J. S. Rossman, and G. A. Voth
Dynamics of optically directed assembly and disassembly of plasmonic nanoplatelet arrays
D. Coursault, N. Sule, J. Parker, Y. Bao and N. F. Scherer
Influenza Season in the United States with an Evolution-informed Model
X. Du, M. Pascual
Characterizing agricultural impacts of recent large-scale US droughts and changing technology and management
J. Elliott, M. Glotter, A. C. Ruane, K. J.Boote, J. L.Hatfield, J. W.Jones, C. Rosenzweig, L. A.Smith, and I. Foster
Enforcing the Courant-Friedrichs-Lewy Condition in Explicitly Conservative Local Time Stepping Schemes
N. Y.Gnedin, V. A.Semenov, and A. V.Kravtsov
A Catalytically Disabled Double Mutant of Src Tyrosine Kinase Can Be Stabilized into an Active-Like Conformation
Y. Meng , L.G. Ahuja , A.P. Kornev, S.S.Taylor, and B. Roux.
Multipolar analysis of electric and magnetic modes excited by vector beams in core-satellite nano-structures
J. Parker, S. Gray, and N. Scherer
Mechanism and Determinants of Amphipathic Helix-Containing Protein Targeting to Lipid Droplets
C.Prévost, M. E. Shar , N. Kory, Q. Lin , G.A.Voth, R.V.Farese Jr., and T.C. Walther
How Common Are Intentional GAAP Violations? Estimates from a Dynamic Model
A.A. ZAKOLYUKINA
2017
The Complexity of Folding Self-Folding Origami
Menachem Stern, Matthew B. Pinson, and Arvind Murugan
Economic development, flow of funds, and the equilibrium interaction of financial frictions
Benjamin Moll, Robert M. Townsend, and Victor Zhorin
Proton movement and coupling in the POT family of peptide transporters
Joanne L. Parker, Chenghan Li, Allete Brinth, Zhi Wang, Lutz Vogeley, Nicolae Solcan, Gregory Ledderboge-Vucinic, Jessica M. J. Swanson, Martin Caffrey, Gregory A. Voth, and Simon Newstead
Uniform Inference for High-Dimensional Quantile Regression: Linear Functionals and Regression Rank Scores
J. Bradic and M. Kolar
Comparative Study of the Collective Dynamics of Proteins and Inorganic Nanoparticles
E.J. Haddadian, H. Zhang, K.F. Freed, and J.F. Douglas
Glacial Ocean Circulation and Stratification Explained by Reduced Atmospheric Temperature
M.F. Jansen
Highly Coarse-Grained Representations of Transmembrane Proteins
J.J. Madsen, A.V. Sinitskiy, J.Li, and G.A. Voth
Kepler-108: A Mutually Inclined Giant Planet System
S.M. Mills and D.C. Fabrycky
Karp: Accurate and Fast Taxonomic Classification Using Pseudoalignment
M. Reppell and J. Novembre
Encoding of Both Reaching and Grasping Kinematics in Dorsal and Ventral Premotor Cortices
K. Takahashi, M.D. Best, N. Huh, K.A. Brown, A.A. Tobaa, and N.G. Hatsopoulos.
Communication: Improved Ab Initio Molecular Dynamics by Minimally Biasing with Experimental Data
A.D. White, C.Knight, G.M. Hocky, and G.A. Voth
Stable Colloids in Molten Inorganic Salts
H. Zhang, K.Dasbiswas, N.B. Ludwig, G. Han, B. Lee, S. Vaikuntanathan, and D. V. Talapin
Balancing Performance and Lifetime of Mlc Pcm by Using a Regionretention Monitor
M.Z. Zhang, L.K. Zhang, L. Jiang, Z.Y. Liu, and F.T. Chong
2016
Directed Evolution of RebH for Catalyst-Controlled Halogenation of Indole C-H bonds
M.C. Andorfer, H.J. Park, J. Vergara-Coll, and J.C. Lewis
Primary Motor and Sensory Cortical Areas Communicate via Spatiotemporally Coordinated Networks at Multiple Frequencies
F.I. Arce-McShane, C.F. Ross, K. Takahashi, B.J. Sessle, and N.G. Hatsopoulos
The Origin and Evolution of LIGO's First Gravitational-Wave Source
K. Belczynski, D.E. Holz, T. Bulik, and R. O'Shaughnessy
Is The Gamma-Ray Source 3FGL J2212.5+0703 a Dark Matter Subhalo?
B. Bertoni, D. Hooper, and T. Linden
Spatio-Temporal Patterning in Primary Motor Cortex at Movement Onset
M.D. Best, A.J. Suminski, K. Takahashi, K.A. Brown, and N.G. Hatsopoulos
Observation of the Pressure Effect in Simulations of Droplets Splashing on a Dry Surface
A. Boelens, A. Latka, and J. de Pablo
A New N-Acyl Homoserine Lactone Synthase in an Uncultured Symbiont of the Red Sea Sponge Theonella swinhowei
M. Britstein, G. Devescovi, K.M. Handley, A. Malik, M. Haber, K. Saurav, R. Teta, V. Costantino, I. Burgsdorf, and J.A. Gilbert
Improved Cosmic-Ray Injection Models and the Galactic Center Gamma-Ray Excess
E. Carlson, T. Linden, and S. Profumo
Changes in Spatio-temporal Precipitation Patterns in Changing Climate Conditions
W. Chang, M. Stein, J. Wang, V.R. Kotamarthi, and E. Moyer
A Multiple Time-Step Dual-Hamiltonian Hybrid Molecular Dynamics-Monte Carlo Canonical Propagation Algorithm
Y. Chen, S. Kale, J. Weare, A.R. Dinner, and B. Roux
Search for Kilonovae in Dark Energy Survey Supernova Fields
Z. Doctor
Multi-model Cross Pollination in Time
H. Du and L.A. Smith
Convergence of Economic Growth and the Great Recession as Seen From a Celestial Observatory
E. Duede and V. Zhorin
Disturbance Regimes Predictably Alter Diversity in an Ecologically Complex Bacterial System
S.M. Gibbons, M. Scholz, A.L. Hutchison, A.R. Dinner, J.A. Gilbert, and M.L. Coleman
Cosmic Reionization on Computers: Numerical and Physical Convergence
N.Y. Gnedin
Cosmic Reionization on Computers: The Faint End of the Galaxy Luminosity Function
N.Y. Gnedin
On the Proper Use of the Reduced Speed of Light Approximation
N.Y. Gnedin
The Turbulent Circulation of a Snowball Earth Ocean
M.F. Jansen
Pre-Exposure Prophylaxis (PrEP) Awareness and Use in a Population-based Sample of Young Black Men Who Have Sex with Men
A.S. Khanna, S. Michaels, B. Skaathun, E. Morgan, K. Green, L. Young, and J.A. Schneider
Computationally Efficient Multiscale Reactive Molecular Dynamics to Describe Amino Acid Deprotonation in Proteins
S. Lee, R. Liang, G.A. Voth, and J.M. Swanson
The Origin of Coupled Chloride and Proton Transport in a Cl(–)/H(+) Antiporter
S. Lee, H.B. Mayes, J.M. Swanson, and G.A. Voth
Multiscale Simulations Reveal Key Aspects of the Proton Transport Mechanism in the ClC-ec1 Antiporter
S. Lee, J.M. Swanson, and G.A. Voth
The Composition of the Microbiota Modulates Allograft Rejection
Y.M. Lei, et al.
The F-actin Bundler ?-actinin Ain1 is Tailored for Ring Assembly and Constriction during Cytokinesis in Fission Yeast
Y. Li, J.R. Christensen, K.E. Homa, G.M. Hocky, A. Fok, J.A. Sees, G.A. Voth, and D.R. Kovar
Multiscale Simulations Reveal Key Features of the Proton Pumping Mechanism in Cytochrome c Oxidase
R. Liang, J.M. Swanson, Y. Peng, M. Wikstrom, and G. Voth
The High-Energy Tail of the Galactic Center Gamma-Ray Excess
T. Linden, N.L. Rodd, B.R. Safdi, and T.R. Slatyer
Workflow Performance Improvement Using Model-Based Scheduling over Multiple Clusters and Clouds
K. Maheshwari, E.-S. Jung, J. Meng, V. Morozov, V. Vishwanath, and R. Kettimuthu
Differential and Enhanced Response to Climate Forcing in Diarrheal Disease Due to Rotavirus across a Megacity of the Developing World
P.P. Martinez, A.A. King, M. Yunus, A.S.G. Faruque, and M. Pascua
Comparing Offline Decoding Performance in Physiologically Defined Neuronal Classes
D.B. Matthew, T. Kazutaka, J.S. Aaron, E. Christian, E.M. Lee, and G.H. Nicholas
Spatial Scale Drives Patterns in Soil Bacterial Diversity
S.L. O'Brien, S.M. Gibbons, S.M. Owens, J. Hampton-Marcell, E.R. Johnston, J.D. Jastrow, J.A. Gilbert, F. Meyer, and D.A. Antonopoulos
Temperatures in Transient Climates: Improved Methods for Simulations with Evolving Temporal Covariances
A. Poppick, D.J. McInerney, E.J. Moyer, and M.L. Stein
A Theory of Interactions between Polarizable Dielectric Spheres
J. Qin, J. Li, V. Lee, H. Jaeger, J.J. de Pablo, and K.F. Freed
Optimal Prediction in the Retina and Natural Motion Statistics
J.M. Salisbury and S.E. Palmer
Design of Defect Spins in Piezoelectric Aluminum Nitride for Solid-State Hybrid Quantum Technologies
H. Seo, M. Govoni, and G. Galli
Quantum Decoherence Dynamics of Divacancy Spins in Silicon Carbide
H. Seo, A.L. Falk, P.V. Klimov, K.C. Miao, G. Galli, and D.D. Awschalom
Necessity of Capillary Modes in a Minimal Model of Nanoscale Hydrophobic Solvation
S. Vaikuntanathan, G. Rotskoff, A. Hudson, and P.L. Geissler
A Technique for Detection of PeV Neutrinos Using a Phased Radio Array
A. Vieregg, K. Bechtol, and A. Romero-Wolf
Explaining the Geographic Origins of Seasonal Influenza A (H3N2)
F. Wen, T. Bedford, and S. Cobey
Crystal Structure of Zwitterionic 2-[bis (2-methoxyphenyl) Phosphaniumyl]-4-methylbenzenesulfonate Monohydrate Dichloromethane Monosolvate
H. Zhang, G. Feng, A.S. Filatov, and R.F. Jordan
Lattice Boltzmann Simulation of Asymmetric Flow in Nematic Liquid Crystals with Finite Anchoring
R. Zhang, T. Roberts, I.S. Aranson, and J.J. de Pablo
Dynamic Structure of Active Nematic Shells
Rui Zhang, Ye Zhou, Mohammad Rahimi, and Juan J. de Pablo
Bayesian Large-scale Multiple Regression with Summary Statistics from Genome-Wide Association Studies
X. Zhu and M. Stephens
2015
Towards Anatomic Scale Agent-Based Modeling with a Massively Parallel Spatially Explicit General-Purpose Model of Enteric Tissue (SEGMEnT_HPC)
Cockrell, Robert Chase; Christley, Scott; Chang, Eugene; An, Gary
On the Interplay between Star Formation and Feedback in Galaxy Formation Simulations
O. Agertz and A.V. Kravtsov
Principal Component Estimation of a Large Covariance Matrix with High-Frequency Data
Y. A•t-Sahalia and D. Xiu
Globus Platform-as-a-service for Collaborative Science Applications
R. Ananthakrishnan, K. Chard, I. Foster, and S. Tuecke
The Genotype-Tissue Expression (GTEx) Pilot Analysis: Multitissue Gene Regulation in Humans
K.G. Ardlie et al.
Theoretically Informed Monte Carlo Simulation of Liquid Crystals by Sampling of Alignment-Tensor Fields
J.C. Armas-Perez, A. Londono-Hurtado, O. Guzman, J.P. Hernandez-Ortiz, and J.J de Pablo
Type I Planet Migration in a Magnetized Disk. II. Effect of Vertical Angular Momentum Transport
A. Bans, A. Konigl, and A. Uribe
ROCKET: Robust Confidence Intervals via Kendall's Tau for Transelliptical Graphical Models
R.F. Barber and M. Kolar
Eight New Milky Way Companions Discovered in First-year Dark Energy Survey Data
K. Bechtol et al.
Cosmic Shear Measurements with DES Science Verification Data
M. Becker et al.
Role of Presolvation and Anharmonicity in Aqueous Phase Hydrated Proton Solvation and Transport
R. Biswas, Y.-L. S. Tse, A. Tokmakoff, and G.A. Voth
A New Reduction of the Blanco Cosmology Survey: An Optically Selected Galaxy Cluster Catalog and a Public Release of Optical Data Products
L. Bleem, B. Stalder, M. Brodwin, M. Busha, M. Gladders, F. High, A. Rest, and R. Wechsler
Graphoepitaxial Assembly of Cylinder Forming Block Copolymers in Cylindrical Holes
Brandon L. Peters, Mark Somervell, Takeo Nakano, Gerard Schmid, and Juan J. de Pablo
Lifestyle Evolution in Cyanobacterial Symbionts of Sponges
I. Burgsdorf, B.M. Slaby, K.M. Handley, M. Haber, J. Blom, C.W. Marshall, J.A. Gilbert, U. Hentschel, and L. Steindler
Hydrated Proton Structure and Diffusion at Platinum Surfaces
Z. Cao, R. Kumar, Y. Peng, and G.A. Voth
Ion Transport through Ultrathin Electrolyte under Applied Voltages
Z. Cao, Y. Peng, and G.A. Voth
The Multiscale Coarse-Graining Method. XI. Accurate Interactions Based on the Centers of Charge of Coarse-Grained Sites
Z. Cao and G.A. Voth
Hydroxide Solvation and Transport in Anion Exchange Membranes
C. Chen, Y.-L.S. Tse, G.E. Lindberg, C. Knight, and G.A. Voth
Versioned Distributed Arrays for Resilience in Scientific Applications: Global View Resilience
A. Chien, P. Balaji, P. Beckman, N. Dun, A. Fang, H. Fujita, K. Iskra, Z. Rubenstein, Z. Zheng, and R. Schreiber
Fibrillar Dimer Formation of Islet Amyloid Polypeptides
C.-c. Chiu and J.J. de Pablo
The Galactic Center GeV Excess from a Series of Leptonic Cosmic-ray Outbursts
I. Cholis, C. Evoli, F. Calore, T. Linden, C. Weniger, and D. Hooper
Towards Anatomic Scale Agent-Based Modeling with a Massively Parallel Spatially Explicit General-Purpose Model of Enteric Tissue (SEGMEnT_HPC)
R.C. Cockrell, S. Christley, E. Chang, and G. An
Coherent Neutrino-Nucleus Scattering Detection with a CsI [Na] Scintillator at the SNS Spallation Source
J. Collar, N. Fields, M. Hai, T. Hossbach, J. Orrell, C. Overman, G. Perumpilly, B. Scholz
What Drives Home Market Advantage?
A.K. Cosar, P.L. Grieco, S. Li, and F. Tintelnot
Tunable Molecular Orientation and Elevated Thermal Stability of Vapor-deposited Organic Semiconductors
S.S. Dalal, D.M. Walters, I. Lyubimov, J.J. de Pablo, and M.D. Ediger
Exploring Valleys without Climbing Every Peak: More Efficient and Forgiving Metabasin Metadynamics via Robust On-the-Fly Bias Domain Restriction
J.F. Dama, G.M. Hocky, R. Sun, and G.A. Voth
A Universal Model for Halo Concentrations
B. Diemer and A.V. Kravtsov
Eight Ultra-faint Galaxy Candidates Discovered in Year Two of the Dark Energy Survey
A. Drlica-Wagner et al.
Data Decomposition in Monte Carlo Neutron Transport Simulations Using Global View Arrays
N. Dun, H. Fujita, J.R. Tramm, A.A. Chien, and A.R. Siegel
The AgMIP GRIDded Crop Modeling Initiative (AgGRID) and the Global Gridded Crop Model Intercomparison (GGCMI)
J. Elliott and C. Muller
Many Resident Task Computing in Support of Dynamic Ensemble Computations
J. Ozik, N.T. Collier, and J.M. Wozniak
The High-Frequency Trading Arms Race: Frequent Batch Auctions as a Market Design Response
Eric Budish and John Shim
Uncertainties in Scaling-Up Crop Models for Large-Area Climate Change Impact Assessments
F. Ewert et al.
Incorporating Global Industrial Classification Standard into Portfolio Allocation: A Simple Factor-based Large Covariance Matrix Estimator with High Frequency Data
J. Fan, A. Furger, and D. Xiu
High-energy Neutrino Signatures of Newborn Pulsars in the Local Universe
K. Fang
Anisotropy of the Extragalactic Radio Background from Dark Matter Annihilation
K. Fang and T. Linden
Cluster Mergers and the Origin of the ARCADE-2 Excess
K. Fang and T. Linden
Phenotypic Variation in Overwinter Environmental Transmission of a Baculovirus and the Cost of Virulence
A.E. Fleming-Davies and G. Dwyer
Effects of Host Heterogeneity on Pathogen Diversity and Evolution
A.E. Fleming-Davies, V. Dukic, V. Andreasen, and G. Dwyer
A Conserved Bicycle Model for Circadian Clock Control of Membrane Excitability
M. Flourakis et al.
An Analysis of Biomolecular Force Fields for Simulations of Polyglutamine in Solution
A.M. Fluitt and J.J. de Pablo
A Framework for the Cross-Sectoral Integration of Multi-Model Impact Projections: Land Use Decisions under Climate Impacts Uncertainties
K. Frieler et al.
Optimal Variable Selection in Multi-Group Sparse Discriminant Analysis
I. Gaynanova and M. Kolar
Ecological Succession and Viability of Human-Associated Microbiota on Restroom Surfaces
S.M. Gibbons, T. Schwartz, J. Fouquier, M. Mitchell, N. Sangwan, J.A. Gilbert, and S.T. Kelley
CEO Personality and Firm Policies
I. Gow., S.N. Kaplan, D.F. Larcker, and A.A. Zakolyukina
Speeding Up Neighborhood Search in Local Gaussian Process Prediction
R.B. Gramacy and B. Haaland
Coarse-Grained Ions for Nucleic Acid Modeling
D.M. Hinckley and J.J. de Pablo
A Molecular View of the Role of Chirality in Charge-Driven Polypeptide Complexation
K.Q. Hoffmann, S.L. Perry, L. Leon, D. Priftis, M. Tirrell, and J.J. de Pablo
Molecular Pathways for Defect Annihilation in Directed Self-Assembly
S.M. Hur, V. Thapar, A. Ramirez-Hernandez, G. Khaira, T. Segal-Peretz, P.A. Rincon-Delgadillo, W. Li, M. Muller, P.F. Nealey, and J.J. de Pablo
Velocity and Mass Bias in the Distribution of Dark Matter Haloes
E. Jennings, C.M. Baugh, and D. Hatt
Non-linear Stochastic Growth Rates and Redshift Space Distortions
E. Jennings and D. Jennings
Disentangling Redshift-Space Distortions and Nonlinear Bias Using the 2D Power Spectrum
E. Jennings, R.H. Wechsler, S.W. Skillman, and M.S. Warren
Radiative Return Capabilities of a High-Energy, High-Luminosity e+e- Collider
M. Karliner, M. Low, J.L. Rosner, and L.-T. Wang
The Difference Imaging Pipeline for the Transient Search in the Dark Energy Survey
R. Kessler et al.
Identifying Peer Change Agents on a Large Social Network
A.S. Khanna, S.D. Jacobs, S. Michaels, B. Skaathun, E. Morgan, L.E. Young, and J.A. Schneider
Preexposure Prophylaxis Awareness and Use in a Population-Based Sample of Young Black Men Who Have Sex With Men
A.S. Khanna, S. Michaels, B. Skaathun, E. Morgan, K. Green, L. Young, and J.A. Schneider
Stratigraphy of Aeolis Dorsa, Mars: Stratigraphic Context of the Great River Deposits
E.S. Kite, A.D. Howard, A.S. Lucas, J.C. Armstrong, O. Aharonson, and M.P. Lamb
How Superfluid Vortex Knots Untie
D. Kleckner, L.H. Kauffman, and W. Irvine
Deciphering Thermal Phase Curves of Dry, Tidally Locked Terrestrial Planets
D.D. Koll and D.S. Abbot
Effects of Diurnal Variation of Gut Microbes and High-Fat Feeding on Host Circadian Clock Function and Metabolism
V. Leone et al.
A Molecular View of DNA-Conjugated Nanoparticle Association Energies
J.P. Lequieu, D.M. Hinckley, and J.J. de Pablo
Separate Universe Consistency Relation and Calibration of Halo Bias
Y. Li, W. Hu, and M. Takada
Column Density Profiles of Multi-Phase Gaseous Halos
C.J. Liang, A.V. Kravtsov, and O. Agertz
Metabolic Potential of Fatty Acid Oxidation and Anaerobic Respiration by Abundant Members of Thaumarchaeota and Thermoplasmata in Deep Anoxic Peat
X. Lin, K.M. Handley, J.A. Gilbert, and J.E. Kostka
Known Radio Pulsars Do Not Contribute to the Galactic Center Gamma-Ray Excess
T. Linden
Mesoscale Study of Proton Transport in Proton Exchange Membranes: Role of Morphology
S. Liu, J. Savage, and G.A. Voth
Homeotropic Nano-particle Assembly on Degenerate Planar Nematic Interfaces: Films and Droplets
A. Londono-Hurtado, J.C. Armas-Perez, J.P. Hernandez-Ortiz, and J.J. de Pablo
Post-regularization Inference for Dynamic Nonparanormal Graphical Models
J. Lu, M. Kolar, and H. Liu
Orientational Anisotropy in Simulated Vapor-Deposited Molecular Glasses
I. Lyubimov, L. Antony, D.M. Walters, D. Rodney, M.D. Ediger, and J.J. de Pablo
Blue-phase Liquid Crystal Droplets
J.A. Martinez-Gonzalez, Y. Zhou, M. Rahimi, E. Bukusoglu, N.L. Abbott, and J.J. de Pablo
Classification of Magnetized Star-Planet Interactions: Bow Shocks, Tails, and Inspiraling Flows
T. Matsakos, A. Uribe, and A. Konigl
Polarization Predictions for Inflationary CMB Power Spectrum Features
V. Miranda, W. Hu, and C. Dvorkin
The Splashback Radius as a Physical Halo Boundary and the Growth of Halo Mass
S. More, B. Diemer, and A.V. Kravtsov
Predictive Information in a Sensory Population
S.E. Palmer, O. Marre, M.J. Berry, and W. Bialek
Hydrated Excess Protons Can Create Their Own Water Wires
Y. Peng, J.M.J. Swanson, S.-G. Kang, R. Zhou, and G.A. Voth
Chirality-selected Phase Behaviour in Ionic Polypeptide Complexes
S.L. Perry et al.
Design, Synthesis, and Characterization of a Bifunctional Chelator with Ultrahigh Capacity for Uranium Uptake from Seawater Simulant
M. Piechowicz, C.W. Abney, X. Zhou, N.C. Thacker, Z. Li, and W. Lin
FUV Variability of HD 189733. Is the Star Accreting Material from its Hot Jupiter?
I. Pillitteri, A. Maggio, G. Micela, S. Sciortino, S. Wolk, and T. Matsakos
Nanoparticle Self-assembly at the Interface of Liquid Crystal Droplets
M. Rahimi, T.F. Roberts, J.C. Armas-Perez, X. Wang, E. Bukusoglu, N.L. Abbott, and J.J. de Pablo
Supercal: Cross-Calibration of Multiple Photometric Systems to Improve Cosmological Measurements with Type Ia Supernovae
D. Scolnic et al.
Decoding Thalamic Afferent Input Using Microcircuit Spiking Activity
A.J. Sederberg, S.E. Palmer, and J.N. MacLean
Distributed Multinomial Regression
M. Taddy
Document Classification by Inversion of Distributed Language Representations
M. Taddy
Bayesian and Empirical Bayesian Forests
M. Taddy, C.S. Chen, J. Yun
Global Production with Export Platforms
F. Tintelnot
Propensity of Hydrated Excess Protons and Hydroxide Anions for the Air-Water Interface
Y.-L.S. Tse, C. Chen, G.E. Lindberg, R. Kumar, and G.A. Voth
An Analysis of Hydrated Proton Diffusion in Ab Initio Molecular Dynamics
Y.L. Tse, C. Knight, and G.A. Voth
Type I Planet Migration in a Magnetized Disk. I. Effect of Large-scale Vertical and Azimuthal Field Components
A. Uribe, A. Bans, and A. Konigl
A New Technique for Detection of PeV Neutrinos Using a Phased Radio Array
A. Vieregg, K. Bechtol, and A. Romero-Wolf
Predicting the Sensitivity of Multiscale Coarse-Grained Models to their Underlying Fine-Grained Model Parameters
J.W. Wagner, J.F. Dama, and G.A. Voth
Designing Free Energy Surfaces That Match Experimental Data with Metadynamics
A.D. White, J.F. Dama, and G.A. Voth
Sculpting Bespoke Mountains: Determining Free Energies with Basis Expansions
J.K. Whitmer, A.M. Fluitt, L. Antony, J. Qin, M. McGovern, and J.J. de Pablo
Fin Ray Sensation Participates in the Generation of Normal Fin Movement in the Hovering Behavior of the Bluegill Sunfish (Lepomis macrochirus)
R. Williams and M.E. Hale
Intergenerational Continuity of Cell Shape Dynamics in Caulobacter crescentus
C.S. Wright, S. Banerjee, S. Iyer-Biswas, S. Crosson, A.R. Dinner, and N.F. Scherer
Extreme Data Compression for the CMB
A. Zablocki and S. Dodelson
The Soil Microbiome Influences Grapevine-Associated Microbiota
I. Zarraonaindia et al.
CosmoSIS: Modular Cosmological Parameter Estimation
J. Zuntz, M. Paterno, E. Jennings, D. Rudd, A. Manzotti, S. Dodelson, S. Bridle, S. Sehrish, and J. Kowalkowski
2014
Memory Maintenance in Synapses with Calcium-Based Plasticity in the Presence of Background Activity
Higgins, David; Graupner, Michael; Brunel, Nicolas
Hydrated Excess Protons Can Create Their Own Water Wires
Yuxing Peng, Jessica M. J. Swanson, Seung-gu Kang, Ruhong Zhou, Gregory A. Voth
Dependence of the Outer Density Profiles of Halos on Their Mass Accretion Rate
Benedikt Diemer and Andrey V. Kravtsov
Dynamic Spatiotemporal Brain Analyses Using High Performance Electrical Neuroimaging: Theoretical Framework and Validation
Stephanie Cacioppo, Robin M. Weiss, Hakizumwami Birali Runesha, and John T. Cacioppo
Proton Transport Under External Applied Voltage
Zhen Cao, Revati Kumar, Yuxing Peng, Gregory A. Voth
Neutrinos Help Reconcile Planck Measurements with Both the Early and Local Universe
Cora Dvorkin, Mark Wyman, Douglas H. Rudd, and Wayne Hu
Measuring Liquid Crystal Elastic Constants with Free Energy Perturbations
Abhijeet A. Joshi, Jonathan K. Whitmer, Orlando Guzmán, Nicholas L. Abbott, and Juan J. de Pablo
Interactions of Protein Kinase C-α C1A and C1B Domains with Membranes: A Combined Computational and Experimental Study
Jianing Li, Brian P. Ziemba, Joseph J. Falke, Gregory A. Voth
Strong Dependence of the Inner Edge of the Habitable Zone on Planetary Rotation Rate
Author: Jun Yang, Gwenaël Boué, Daniel C. Fabrycky, and Dorian S. Abbot
Chloride Enhances Fluoride Mobility in Anion Exchange Membrane/Polycationic Systems
Ying-Lung Steve Tse, Himanshu N. Sarode, Gerrick E. Lindberg, Thomas A. Witten, Yuan Yang, Andrew M. Herring, Gregory A. Voth
Graph Estimation from Multi-Attribute Data
Mladen Kolar, Han Liu, and Eric P. Xing
Unraveling the Mystery of ATP Hydrolysis in Actin Filaments
Martin McCullagh, Marissa G. Saunders, Gregory A. Voth
Longitudinal Analysis of Microbial Interaction Between Humans and the Indoor Environment
Simon Lax, Daniel P. Smith, Jarrad Hampton-Marcell, Sarah M. Owens, Kim M. Handley, Nicole M. Scott, Sean M. Gibbons, Peter Larsen, Benjamin D. Shogan, Sophie Weiss, Jessica L. Metcalf, Luke K. Ursell, Yoshiki Vázquez-Baeza, Will Van Treuren, Nur A. Hasan, Molly K. Gibson, Rita Colwell, Gautam Dantas, Rob Knight, and Jack A. Gilbert
Super-Sample Covariance in Simulations
Yin Li, Wayne Hu, and Masahiro Takada
Multiscale Simulation Reveals a Multifaceted Mechanism of Proton Permeation through the Influenza A M2 Proton Channel
Ruibin Liang, Hui Li, Jessica M. J. Swanson, and Gregory A. Voth
Inflationary Steps in the Planck Data
Vinícius Miranda and Wayne Hu
Cosmological Parameter Uncertainties from SALT-II Type Ia Supernova Light Curve Models
J. Mosher, J. Guy, R. Kessler, P. Astier, J. Marriner, M. Betoule, M. Sako, P. El-Hage, R. Biswas, R. Pain, S. Kuhlmann, N. Regnault, J. A. Frieman, D. P. Schneider
Cosmic Reionization on Computers. I. Design and Calibration of Simulations
Nickolay Y. Gnedin
Cosmic Reionization on Computers. II. Reionization History and Its Back-reaction on Early Galaxies
Nickolay Y. Gnedin and Alexander A. Kaurov
Neutrinos Help Reconcile Planck Measurements with the Local Universe
Mark Wyman, Douglas H. Rudd, R. Ali Vanderveld, and Wayne Hu
Strong Dependence of the Inner Edge of the Habitable Zone on Planetary Rotation Rate
Jun Yang, Gwenaël Boué, Daniel C. Fabrycky, and Dorian S. Abbot
2013
Weak Lensing Simulations for Large-Area Sky Surveys and Second-Order Effects in Cosmic Shear Power Spectra
Matthew R. Becker
A Quantitative Meta-Analysis of Functional Imaging Studies of Social Rejection
Stephanie Cacioppo, Chris Frum, Erik Asp, Robin M. Weiss, James W. Lewis, and John T. Cacioppo
On the Evolution of Cluster Scaling Relations
Benedikt Diemer, Andrey V. Kravtsov, and Surhud More
Constraints and Potentials of Future Irrigation Water Availability on Agricultural Production under Climate Change
Joshua Elliott, Delphine Deryng, Christoph Müller, Katja Frieler, Markus Konzmann, Dieter Gerten, Michael Glotter, Martina Flörke, Yoshihide Wada, and Neil Best
Predicting Agricultural Impacts of Large-Scale Drought: 2012 and the Case for Better Modeling
Joshua Elliott, Michael Glotter, Neil Best, Ken Boote, Jim Jones, Jerry Hatfield, Cynthia Rosenzweig, Leonard A, Smith, and Ian Foster
Massively Parallel Approximate Gaussian Process Regression
Robert B. Gramacy, Jarad Niemi, and Robin Weiss
The Abundance of Voids and the Excursion Set Formalism
Elise Jennings, Yin Li, and Wayne Hu
The AGORA High-Resolution Galaxy Simulations Comparison Project
Ji-hoon Kim, Tom Abel, Oscar Agertz, Greg L. Bryan, Daniel Ceverino, Charlotte Christensen, Charlie Conroy, Avishai Dekel, Nickolay Y. Gnedin, and Nathan J. Goldbaum
Multi-state Approach to Chemical Reactivity in Fragment Based Quantum Chemistry Calculations
Adrian W. Lange and Gregory A. Voth
Precipitation in a Surface-Energy Budget Context in Transient and Equilibrium Climates
Shanshan Sun and Elisabeth Moyer
Dynamical Simulations of Coarse Grain Polymeric Systems: Rouse and Entangled Dynamics
Abelardo Ramírez-Hernández, François A. Detcheverry, Brandon L. Peters, Verónica C. Chappa, Kenneth S. Schweizer, Marcus Müller, and Juan J. de Pablo
Autoinhibition of Endophilin in Solution via Interdomain Interactions
Francisco X. Vázquez, Vinzenz M. Unger, and Gregory A. Voth
Nematic-Field-Driven Positioning of Particles in Liquid Crystal Droplets
Jonathan K. Whitmer, Xiaoguang Wang, Frederic Mondiot, Daniel S. Miller, Nicholas L. Abbott, and Juan J. de Pablo
Simulations of Galileon Modified Gravity: Clustering Statistics in Real and Redshift Space
Mark Wyman, Elise Jennings, and Marcos Lima
Measuring Intentional Manipulation: A Structural Approach
Anastasia Zakolyukina