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Journal of Computational Chemistry
|
September 14, 2016
Horizontal vectorization of electron repulsion integrals
Benjamin P Pritchard, Edmond Chow
Journal of Chemical Theory and Computation
|
November 19, 2025
High-Throughput Approach for Minimum Energy Pathway Search Using the Nudged Elastic Band Method with Efficient Data Handling and Parallel Computing
Heejune Park, Benjamin P Pritchard, Lee-Ping Wang
Journal of Molecular Modeling
|
November 12, 2010
A versatile approach for modeling and simulating the tacticity of polymers
Massoud J Miri, Benjamin P Pritchard, H N Cheng
The Journal of Chemical Physics
|
October 15, 2024
QCManyBody: A flexible implementation of the many-body expansion
Lori A Burns, C David Sherrill, Benjamin P Pritchard
Journal of Chemical Theory and Computation
|
September 25, 2024
Nutmeg and SPICE: Models and Data for Biomolecular Machine Learning
Peter Eastman, Benjamin P Pritchard, John D Chodera, et al.
Journal of Chemical Information and Modeling
|
October 11, 2019
New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community
Benjamin P Pritchard, Doaa Altarawy, Brett Didier, et al.
Journal of Chemical Theory and Computation
|
October 3, 2017
Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
J Coleman Howard, James C Womack, Jacek Dziedzic, et al.
Scientific Data
|
January 4, 2023
SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials
Peter Eastman, Pavan Kumar Behara, David L Dotson, et al.
Journal of Chemical Theory and Computation
|
May 11, 2017
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
Robert M Parrish, Lori A Burns, Daniel G A Smith, et al.
The Journal of Chemical Physics
|
May 17, 2020
Psi4 1.4: Open-source software for high-throughput quantum chemistry
Daniel G A Smith, Lori A Burns, Andrew C Simmonett, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Journal of Computational Chemistry
|
September 14, 2016
Horizontal vectorization of electron repulsion integrals
Benjamin P Pritchard, Edmond Chow
Journal of Chemical Theory and Computation
|
November 19, 2025
High-Throughput Approach for Minimum Energy Pathway Search Using the Nudged Elastic Band Method with Efficient Data Handling and Parallel Computing
Heejune Park, Benjamin P Pritchard, Lee-Ping Wang
Journal of Molecular Modeling
|
November 12, 2010
A versatile approach for modeling and simulating the tacticity of polymers
Massoud J Miri, Benjamin P Pritchard, H N Cheng
The Journal of Chemical Physics
|
October 15, 2024
QCManyBody: A flexible implementation of the many-body expansion
Lori A Burns, C David Sherrill, Benjamin P Pritchard
Journal of Chemical Theory and Computation
|
September 25, 2024
Nutmeg and SPICE: Models and Data for Biomolecular Machine Learning
Peter Eastman, Benjamin P Pritchard, John D Chodera, et al.
Journal of Chemical Information and Modeling
|
October 11, 2019
New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community
Benjamin P Pritchard, Doaa Altarawy, Brett Didier, et al.
Journal of Chemical Theory and Computation
|
October 3, 2017
Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
J Coleman Howard, James C Womack, Jacek Dziedzic, et al.
Scientific Data
|
January 4, 2023
SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials
Peter Eastman, Pavan Kumar Behara, David L Dotson, et al.
Journal of Chemical Theory and Computation
|
May 11, 2017
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
Robert M Parrish, Lori A Burns, Daniel G A Smith, et al.
The Journal of Chemical Physics
|
May 17, 2020
Psi4 1.4: Open-source software for high-throughput quantum chemistry
Daniel G A Smith, Lori A Burns, Andrew C Simmonett, et al.
Page
of 1