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Journal of Chemical Theory and Computation
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February 22, 2020
Quantifying Multireference Character in Multicomponent Systems with Heat-Bath Configuration Interaction
Kurt R Brorsen
The Journal of Chemical Physics
|
June 3, 2019
Reproducing global potential energy surfaces with continuous-filter convolutional neural networks
Kurt R Brorsen
The Journal of Physical Chemistry. A
|
October 27, 2020
Mixed Quantum-Classical Dynamics with Machine Learning-Based Potentials via Wigner Sampling
Muhammad Ardiansyah, Kurt R Brorsen
Journal of Computational Chemistry
|
December 24, 2025
Benchmarking Vibrational Second-Order Perturbation Theory Computations of Dipole Moments and Their Correlation With Electronic Density Errors Using Density Functional Theory
Dylan Fowler, Kurt R Brorsen
The Journal of Chemical Physics
|
December 23, 2021
Multicomponent heat-bath configuration interaction with the perturbative correction for the calculation of protonic excited states
Naresh Alaal, Kurt R Brorsen
Journal of Chemical Theory and Computation
|
April 23, 2025
Correction to "(T) Correction for Multicomponent Coupled-Cluster Theory for a Single Quantum Proton"
Dylan Fowler, Kurt R Brorsen
Journal of Chemical Theory and Computation
|
November 23, 2022
(T) Correction for Multicomponent Coupled-Cluster Theory for a Single Quantum Proton
Dylan Fowler, Kurt R Brorsen
The Journal of Chemical Physics
|
March 9, 2021
Separation of electron-electron and electron-proton correlation in multicomponent orbital-optimized perturbation theory
O Jonathan Fajen, Kurt R Brorsen
The Journal of Chemical Physics
|
May 14, 2026
Constrained nuclear-electronic orbital second-order Møller-Plesset perturbation theory
Gabrielle B Tucker, Kurt R Brorsen
The Journal of Chemical Physics
|
December 23, 2021
Multicomponent MP4 and the inclusion of triple excitations in multicomponent many-body methods
O Jonathan Fajen, Kurt R Brorsen
Page
of 3
Search research articles
Search
Showing results (1-10 of 28) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
February 22, 2020
Quantifying Multireference Character in Multicomponent Systems with Heat-Bath Configuration Interaction
Kurt R Brorsen
The Journal of Chemical Physics
|
June 3, 2019
Reproducing global potential energy surfaces with continuous-filter convolutional neural networks
Kurt R Brorsen
The Journal of Physical Chemistry. A
|
October 27, 2020
Mixed Quantum-Classical Dynamics with Machine Learning-Based Potentials via Wigner Sampling
Muhammad Ardiansyah, Kurt R Brorsen
Journal of Computational Chemistry
|
December 24, 2025
Benchmarking Vibrational Second-Order Perturbation Theory Computations of Dipole Moments and Their Correlation With Electronic Density Errors Using Density Functional Theory
Dylan Fowler, Kurt R Brorsen
The Journal of Chemical Physics
|
December 23, 2021
Multicomponent heat-bath configuration interaction with the perturbative correction for the calculation of protonic excited states
Naresh Alaal, Kurt R Brorsen
Journal of Chemical Theory and Computation
|
April 23, 2025
Correction to "(T) Correction for Multicomponent Coupled-Cluster Theory for a Single Quantum Proton"
Dylan Fowler, Kurt R Brorsen
Journal of Chemical Theory and Computation
|
November 23, 2022
(T) Correction for Multicomponent Coupled-Cluster Theory for a Single Quantum Proton
Dylan Fowler, Kurt R Brorsen
The Journal of Chemical Physics
|
March 9, 2021
Separation of electron-electron and electron-proton correlation in multicomponent orbital-optimized perturbation theory
O Jonathan Fajen, Kurt R Brorsen
The Journal of Chemical Physics
|
May 14, 2026
Constrained nuclear-electronic orbital second-order Møller-Plesset perturbation theory
Gabrielle B Tucker, Kurt R Brorsen
The Journal of Chemical Physics
|
December 23, 2021
Multicomponent MP4 and the inclusion of triple excitations in multicomponent many-body methods
O Jonathan Fajen, Kurt R Brorsen
Page
of 3