Mark S Gordon
5PUBLICATIONS
68CO-AUTHORS
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Publications (5)
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|Dec 02, 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
|Oct 23, 2021
Scalable ab initio fragmentation methods based on a truncated expansion of the non-orthogonal molecular orbital model.Bryce M Westheimer, Mark S Gordon
|Jul 09, 2021
Model protein excited states: MRCI calculations with large active spaces vs CC2 method.Valérie Brenner, Thibaut Véry, Michael W Schmidt
|Mar 16, 2021
Computation of host-guest binding free energies with a new quantum mechanics based mining minima algorithm.Peng Xu, Tosaporn Sattasathuchana, Emilie Guidez
|Apr 24, 2020
Recent developments in the general atomic and molecular electronic structure system.Giuseppe M J Barca, Colleen Bertoni, Laura Carrington
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Frequent Collaborators
2 joint publications
Nuwan De Silva
2 joint publications
Emilie Guidez
2 joint publications
Bryce Westheimer
1 joint publications
Giuseppe M J Barca
1 joint publications
Dipayan Datta
1 joint publications
J Emiliano Deustua
1 joint publications
Dmitri G Fedorov
1 joint publications
Anastasia O Gunina
1 joint publications
Stephan Irle
1 joint publications
Joe Ivanic
