Search research articles
Contact Us
Filters
Showing results (1-10 of 6) with videos related to
Page
of 1
Sort By:
The Journal of Chemical Physics
|
December 24, 2018
Modeling core-level excitations with variationally optimized reduced-density matrices and the extended random phase approximation
Elvis Maradzike, A Eugene DePrince
Journal of Chemical Theory and Computation
|
June 16, 2020
Reduced Density Matrix-Driven Complete Active Apace Self-Consistent Field Corrected for Dynamic Correlation from the Adiabatic Connection
Elvis Maradzike, Michał Hapka, Katarzyna Pernal, et al.
Journal of Chemical Theory and Computation
|
July 22, 2017
Analytic Energy Gradients for Variational Two-Electron Reduced-Density-Matrix-Driven Complete Active Space Self-Consistent Field Theory
Elvis Maradzike, Gergely Gidofalvi, Justin M Turney, et al.
Journal of Chemical Theory and Computation
|
September 26, 2019
Heterogeneous CPU + GPU Algorithm for Variational Two-Electron Reduced-Density Matrix-Driven Complete Active-Space Self-Consistent Field Theory
J Wayne Mullinax, Elvis Maradzike, Lauren N Koulias, et al.
ACS Pharmacology & Translational Science
|
April 18, 2022
Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor
Jens Glaser, Ada Sedova, Stephanie Galanie, et al.
Journal of the American Chemical Society
|
October 30, 2019
Radical Dimerization in a Plastic Organic Crystal Leads to Structural and Magnetic Bistability with Wide Thermal Hysteresis
Alina Dragulescu-Andrasi, Alexander S Filatov, Richard T Oakley, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
December 24, 2018
Modeling core-level excitations with variationally optimized reduced-density matrices and the extended random phase approximation
Elvis Maradzike, A Eugene DePrince
Journal of Chemical Theory and Computation
|
June 16, 2020
Reduced Density Matrix-Driven Complete Active Apace Self-Consistent Field Corrected for Dynamic Correlation from the Adiabatic Connection
Elvis Maradzike, Michał Hapka, Katarzyna Pernal, et al.
Journal of Chemical Theory and Computation
|
July 22, 2017
Analytic Energy Gradients for Variational Two-Electron Reduced-Density-Matrix-Driven Complete Active Space Self-Consistent Field Theory
Elvis Maradzike, Gergely Gidofalvi, Justin M Turney, et al.
Journal of Chemical Theory and Computation
|
September 26, 2019
Heterogeneous CPU + GPU Algorithm for Variational Two-Electron Reduced-Density Matrix-Driven Complete Active-Space Self-Consistent Field Theory
J Wayne Mullinax, Elvis Maradzike, Lauren N Koulias, et al.
ACS Pharmacology & Translational Science
|
April 18, 2022
Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor
Jens Glaser, Ada Sedova, Stephanie Galanie, et al.
Journal of the American Chemical Society
|
October 30, 2019
Radical Dimerization in a Plastic Organic Crystal Leads to Structural and Magnetic Bistability with Wide Thermal Hysteresis
Alina Dragulescu-Andrasi, Alexander S Filatov, Richard T Oakley, et al.
Page
of 1