David Rogers - Publications, H-index & Citations

David Rogers

united states department of energy (doe)

30H指数

306论文数

1.3W被引数

收录论文 29

发表时间

Enabling Seamless Transitions from Experimental to Production HPC for Interactive Workflows 实现实验到生产HPC环境下的交互式工作流无缝过渡

HIGH PERFORMANCE COMPUTING WORKSHOPS, ISC HIGH PERFORMANCE 2025 INTERNATIONAL WORKSHOPS

IF0

2026-01-01

PREAI

Etze, Brian D.; Rogers, David M.; Brim, Michael J.; Maheshwari, Ketan; Leland, Kellen; Skluzacek, Tyler J.; Lange, Jack; Pelfrey, Daniel; Webb, Jordan; Widener, Patrick; Adamson, Ryan; Zimmer, Christopher; Vergara, Veronica G. Melesse; Shankar, Mallikarjun; Oral, Sarp; da Silva, Rafael Ferreira

Optimal placement and coordinated scheduling of distributed space-based lasers for orbital debris remediation 分布式空间激光器的最优部署与协同调度用于轨道碎片清除

Advances in Space Research

IF2.8

2025-08-05

OAAI

David O. Williams Rogers; Matthew C. Fox; Paul R. Stysley; Hang Woon Lee

QuantumScents: Quantum-Mechanical Properties for 3.5k Olfactory Molecules

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-11-21

OAAI

Burns, Jackson W.; Rogers, David M.

EZ: An efficient, charge conserving current deposition algorithm for electromagnetic particle-in-cell simulations

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2023-10-01

OAAI

Steiniger, Klaus; Widera, Rene; Bastrakov, Sergei; Bussmann, Michael; Chandrasekaran, Sunita; Hernandez, Benjamin; Holsapple, Kristina; Huebl, Axel; Juckeland, Guido; Kelling, Jeffrey; Leinhauser, Matt; Pausch, Richard; Rogers, David; Schramm, Ulrich; Young, Jeff; Debus, Alexander

Free Energies of Hydrated Halide Anions: High Through-Put Computations on Clusters to Treat Rough Energy-Landscapes

MOLECULES

IF4.6

2021-05-21

OAAI

Gomez, Diego T.; Pratt, Lawrence R.; Rogers, David M.; Rempe, Susan B.

Molecular basis for higher affinity of SARS-CoV-2 spike RBD for human ACE2 receptor

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

IF2.8

2021-04-26

OAAI

Delgado, Julian M.; Duro, Nalvi; Rogers, David M.; Tkatchenko, Alexandre; Pandit, Sagar A.; Varma, Sameer

High-throughput virtual laboratory for drug discovery using massive datasets 使用海量数据集进行药物发现的高通量虚拟实验室

INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS

IF2.5

2021-03-23

PREAI

Glaser, Jens; Vermaas, Josh V.; Rogers, David M.; Larkin, Jeff; LeGrand, Scott; Boehm, Swen; Baker, Matthew B.; Scheinberg, Aaron; Tillack, Andreas F.; Thavappiragasam, Mathialakan; Sedova, Ada; Hernandez, Oscar

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2020-12-16

130

OAAI

Acharya, A.; Agarwal, R.; Baker, M. B.; Baudry, J.; Bhowmik, D.; Boehm, S.; Byler, K. G.; Chen, S. Y.; Coates, L.; Cooper, C. J.; Demerdash, O.; Daidone, I; Eblen, J. D.; Ellingson, S.; Forli, S.; Glaser, J.; Gumbart, J. C.; Gunnels, J.; Hernandez, O.; Irle, S.; Kneller, D. W.; Kovalevsky, A.; Larkin, J.; Lawrence, T. J.; LeGrand, S.; Liu, S-H; Mitchell, J. C.; Park, G.; Parks, J. M.; Pavlova, A.; Petridis, L.; Poole, D.; Pouchard, L.; Ramanathan, A.; Rogers, D. M.; Santos-Martins, D.; Scheinberg, A.; Sedova, A.; Shen, Y.; Smith, J. C.; Smith, M. D.; Soto, C.; Tsaris, A.; Thavappiragasam, M.; Tillack, A. F.; Vermaas, J. V.; Vuong, V. Q.; Yin, J.; Yoo, S.; Zahran, M.; Zanetti-Polzi, L.

Optimizing radionuclide sequestration in anion nanotraps with record pertechnetate sorption

NATURE COMMUNICATIONS

IF15.7

2019-04-09

170

OAAI

Sun, Qi; Zhu, Lin; Aguila, Briana; Thallapally, Praveen K.; Xu, Chao; Chen, Jing; Wang, Shuao; Rogers, David; Ma, Shengqian

Accelerating QM/MM Free Energy Computations via Intramolecular Force Matching

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2018-10-09

OAAI

Hudson, Phillip S.; Boresch, Stefan; Rogers, David M.; Woodcock, H. Lee

Extension of Kirkwood-Buff theory to the canonical ensemble

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-02-01

OAAI

Rogers, David M.

Study of Insertion of Dengue E into Lipid Bilayers by Neutron Reflectivity and Molecular Dynamics Simulations

BIOPHYSICAL JOURNAL

IF3.1

2017-02-01

OAAI

Vanegas, Juan M.; Heinrich, Frank; Rogers, David M.; Carson, Bryan D.; La Bauve, Sadie; Vernon, Brianna C.; Akgun, Bulent; Satija, Sushil; Zheng, Aihua; Kielian, Margaret; Rempe, Susan B.; Kent, Michael S.

New Method for Measuring the Anchoring Energy of Strongly-Bound Membrane-Associated Proteins

BIOPHYSICAL JOURNAL

IF3.1

2016-02-01

OAAI

Kent, Michael S.; La Bauve, Elisa; Vernon, Briana C.; Ye, Dongmei; Rogers, David M.; Siegrist, Cathryn M.; Carson, Bryan; Rempe, Susan L.; Zheng, Aihua; Kielian, Margaret; Schreve, Andrew P.

Dispersion- and Exchange-Corrected Density Functional Theory for Sodium Ion Hydration

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2015-06-26

PREAI

Soniat, Marielle; Rogers, David M.; Rempe, Susan B.

Real-space quadrature: A convenient, efficient representation for multipole expansions

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2015-02-17

OAAI

Rogers, David M.

Role of Electrostatic Interactions in the Anchoring of Dengue E Protein to Lipid Membranes

BIOPHYSICAL JOURNAL

IF3.1

2015-01-01

OAAI

Vanegas, Juan M.; Rogers, David M.; Kent, Michael S.; Rempe, Susan B.

Atomic Layer Deposition of L-Alanine Polypeptide

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2014-11-04

OAAI

Fu, Yaqin; Li, Binsong; Jiang, Ying-Bing; Dunphy, Darren R.; Tsai, Andy; Tam, Siu-Yue; Fan, Hongyou; Zhang, Hongxia; Rogers, David; Rempe, Susan; Atanassov, Plamen; Cecchi, Joseph L.; Brinker, C. Jeffrey

Spatiotemporal pH Dynamics in Concentration Polarization near Ion-Selective Membranes

LANGMUIR

IF3.9

2014-06-25

PREAI

Andersen, Mathias B.; Rogers, David M.; Mai, Junyu; Schudel, Benjamin; Hatch, Anson V.; Rempe, Susan B.; Mani, Ali

Molecular Modeling of the Attachment of the Dengue II Envelope Protein into Host Endosomal Membranes (vol 104, pg 20a, 2013)

BIOPHYSICAL JOURNAL

IF3.1

2013-04-01

OAAI

Rogers, David M.; Kent, Michael S.; Rempe, Susan B.