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The Journal of Chemical Physics
|
August 3, 2019
Stochastic resolution of identity second-order Matsubara Green's function theory
Tyler Y Takeshita, Wenjie Dou, Daniel G A Smith, et al.
The Journal of Chemical Physics
|
July 9, 2021
Optimized damping parameters for empirical dispersion corrections to symmetry-adapted perturbation theory
Jeffrey B Schriber, Dominic A Sirianni, Daniel G A Smith, et al.
The Journal of Chemical Physics
|
August 1, 2023
MBX: A many-body energy and force calculator for data-driven many-body simulations
Marc Riera, Christopher Knight, Ethan F Bull-Vulpe, et al.
The Journal of Physical Chemistry. A
|
January 31, 2014
Highly correlated electronic structure calculations of the He-C3 van der Waals complex and collision-induced rotational transitions of C3
Daniel G A Smith, Konrad Patkowski, Duy Trinh, et al.
The Journal of Chemical Physics
|
November 4, 2017
The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions
Lori A Burns, John C Faver, Zheng Zheng, et al.
The Journal of Chemical Physics
|
December 2, 2021
OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy
Anders S Christensen, Sai Krishna Sirumalla, Zhuoran Qiao, et al.
Journal of Chemical Information and Modeling
|
March 10, 2026
The Open Molecular Software Foundation (OMSF) and the Growing Role of Open Source Software in Molecular Modeling
Karmen Čondić-Jurkić, Irfan Alibay, Woody Sherman, et al.
The Journal of Chemical Physics
|
November 17, 2018
Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science
Anna Krylov, Theresa L Windus, Taylor Barnes, et al.
Journal of Chemical Theory and Computation
|
September 22, 2021
Development and Benchmarking of Open Force Field v1.0.0-the Parsley Small-Molecule Force Field
Yudong Qiu, Daniel G A Smith, Simon Boothroyd, et al.
Journal of Chemical Information and Modeling
|
September 19, 2019
Sharing Data from Molecular Simulations
Mark Abraham, Rossen Apostolov, Jonathan Barnoud, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 26) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
August 3, 2019
Stochastic resolution of identity second-order Matsubara Green's function theory
Tyler Y Takeshita, Wenjie Dou, Daniel G A Smith, et al.
The Journal of Chemical Physics
|
July 9, 2021
Optimized damping parameters for empirical dispersion corrections to symmetry-adapted perturbation theory
Jeffrey B Schriber, Dominic A Sirianni, Daniel G A Smith, et al.
The Journal of Chemical Physics
|
August 1, 2023
MBX: A many-body energy and force calculator for data-driven many-body simulations
Marc Riera, Christopher Knight, Ethan F Bull-Vulpe, et al.
The Journal of Physical Chemistry. A
|
January 31, 2014
Highly correlated electronic structure calculations of the He-C3 van der Waals complex and collision-induced rotational transitions of C3
Daniel G A Smith, Konrad Patkowski, Duy Trinh, et al.
The Journal of Chemical Physics
|
November 4, 2017
The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions
Lori A Burns, John C Faver, Zheng Zheng, et al.
The Journal of Chemical Physics
|
December 2, 2021
OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy
Anders S Christensen, Sai Krishna Sirumalla, Zhuoran Qiao, et al.
Journal of Chemical Information and Modeling
|
March 10, 2026
The Open Molecular Software Foundation (OMSF) and the Growing Role of Open Source Software in Molecular Modeling
Karmen Čondić-Jurkić, Irfan Alibay, Woody Sherman, et al.
The Journal of Chemical Physics
|
November 17, 2018
Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science
Anna Krylov, Theresa L Windus, Taylor Barnes, et al.
Journal of Chemical Theory and Computation
|
September 22, 2021
Development and Benchmarking of Open Force Field v1.0.0-the Parsley Small-Molecule Force Field
Yudong Qiu, Daniel G A Smith, Simon Boothroyd, et al.
Journal of Chemical Information and Modeling
|
September 19, 2019
Sharing Data from Molecular Simulations
Mark Abraham, Rossen Apostolov, Jonathan Barnoud, et al.
Page
of 3