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Journal of Chemical Theory and Computation
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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.
Journal of Chemical Theory and Computation
|
May 18, 2018
Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development
Daniel G A Smith, Lori A Burns, Dominic A Sirianni, et al.
The Journal of Chemical Physics
|
July 17, 2020
The CECAM electronic structure library and the modular software development paradigm
Micael J T Oliveira, Nick Papior, Yann Pouillon, 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.
Biorxiv : the Preprint Server for Biology
|
November 24, 2021
#COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol
Abigail Dommer, Lorenzo Casalino, Fiona Kearns, et al.
The Journal of Chemical Physics
|
December 2, 2021
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs
Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick, et al.
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Search research articles
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Showing results (21-30 of 26) with videos related to
Sort By:
Page
of 3
You have reached the last page of results.
This site can display upto 26 results.
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.
Journal of Chemical Theory and Computation
|
May 18, 2018
Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development
Daniel G A Smith, Lori A Burns, Dominic A Sirianni, et al.
The Journal of Chemical Physics
|
July 17, 2020
The CECAM electronic structure library and the modular software development paradigm
Micael J T Oliveira, Nick Papior, Yann Pouillon, 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.
Biorxiv : the Preprint Server for Biology
|
November 24, 2021
#COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol
Abigail Dommer, Lorenzo Casalino, Fiona Kearns, et al.
The Journal of Chemical Physics
|
December 2, 2021
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs
Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick, et al.
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of 3