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Journal of Chemical Theory and Computation
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November 21, 2022
MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
Peter Wind, Magnar Bjørgve, Anders Brakestad, et al.
The Journal of Chemical Physics
|
April 26, 2024
VAMPyR-A high-level Python library for mathematical operations in a multiwavelet representation
Magnar Bjørgve, Christian Tantardini, Stig Rune Jensen, et al.
Journal of Chemical Theory and Computation
|
January 26, 2019
The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State Up
James S Spencer, Nick S Blunt, Seonghoon Choi, et al.
The Journal of Chemical Physics
|
June 8, 2020
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
Jógvan Magnus Haugaard Olsen, Simen Reine, Olav Vahtras, et al.
The Journal of Chemical Physics
|
June 4, 2020
The DIRAC code for relativistic molecular calculations
Trond Saue, Radovan Bast, André Severo Pereira Gomes, 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.
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 2
Search research articles
Search
Showing results (11-20 of 18) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 18 results.
Journal of Chemical Theory and Computation
|
November 21, 2022
MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
Peter Wind, Magnar Bjørgve, Anders Brakestad, et al.
The Journal of Chemical Physics
|
April 26, 2024
VAMPyR-A high-level Python library for mathematical operations in a multiwavelet representation
Magnar Bjørgve, Christian Tantardini, Stig Rune Jensen, et al.
Journal of Chemical Theory and Computation
|
January 26, 2019
The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State Up
James S Spencer, Nick S Blunt, Seonghoon Choi, et al.
The Journal of Chemical Physics
|
June 8, 2020
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
Jógvan Magnus Haugaard Olsen, Simen Reine, Olav Vahtras, et al.
The Journal of Chemical Physics
|
June 4, 2020
The DIRAC code for relativistic molecular calculations
Trond Saue, Radovan Bast, André Severo Pereira Gomes, 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.
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.
Page
of 2