Anders M N Niklasson|Marc J Cawkwell - JoVE Visualize

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Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|January 15, 2016

Canonical density matrix perturbation theoryAnders M N Niklasson, M J Cawkwell, Emanuel H Rubensson, et al.

The Journal of Chemical Physics|December 16, 2024

Susceptibility formulation of density matrix perturbation theoryAnders M N Niklasson, Adela Habib, Joshua D Finkelstein, et al.

Journal of Chemical Theory and Computation|June 29, 2023

Shadow Molecular Dynamics and Atomic Cluster Expansions for Flexible Charge ModelsJames Goff, Yu Zhang, Christian Negre, et al.

The Journal of Chemical Physics|March 5, 2026

Shadow excited state molecular dynamics with the ΔSCF methodO Jonathan Fajen, Oscar Grånäs, Todd J Martínez, et al.

Journal of Chemical Theory and Computation|November 26, 2015

Computing the Density Matrix in Electronic Structure Theory on Graphics Processing UnitsM J Cawkwell, E J Sanville, S M Mniszewski, et al.

Journal of Chemical Theory and Computation|October 27, 2023

Multipole Expansion of Atomic Electron Density Fluctuation Interactions in the Density-Functional Tight-Binding MethodVan-Quan Vuong, Bálint Aradi, Anders M N Niklasson, et al.

The Journal of Chemical Physics|February 12, 2026

Shadow molecular dynamics for flexible multipole modelsRae A Corrigan Grove, Robert Stanton, Michael E Wall, et al.

The Journal of Physical Chemistry Letters|February 19, 2026

High-Performance Semiempirical Excited-State Molecular Dynamics Powered by Graphics Processing UnitsVishikh Athavale, Maksim Kulichenko, Sebastian Fernandez-Alberti, et al.

Journal of Chemical Theory and Computation|November 20, 2015

Computation of the Density Matrix in Electronic Structure Theory in Parallel on Multiple Graphics Processing UnitsM J Cawkwell, M A Wood, Anders M N Niklasson, et al.

Journal of Chemical Theory and Computation|September 25, 2025

PYSEQM 2.0: Accelerated Semiempirical Excited-State Calculations on Graphical Processing UnitsVishikh Athavale, Nikita Fedik, William Colglazier, et al.

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Showing results (41-50 of 74) with videos related to

Sort By:

Pageof 8

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|January 15, 2016

Canonical density matrix perturbation theoryAnders M N Niklasson, M J Cawkwell, Emanuel H Rubensson, et al.

The Journal of Chemical Physics|December 16, 2024

Susceptibility formulation of density matrix perturbation theoryAnders M N Niklasson, Adela Habib, Joshua D Finkelstein, et al.

Journal of Chemical Theory and Computation|June 29, 2023

Shadow Molecular Dynamics and Atomic Cluster Expansions for Flexible Charge ModelsJames Goff, Yu Zhang, Christian Negre, et al.

The Journal of Chemical Physics|March 5, 2026

Shadow excited state molecular dynamics with the ΔSCF methodO Jonathan Fajen, Oscar Grånäs, Todd J Martínez, et al.

Journal of Chemical Theory and Computation|November 26, 2015

Computing the Density Matrix in Electronic Structure Theory on Graphics Processing UnitsM J Cawkwell, E J Sanville, S M Mniszewski, et al.

Journal of Chemical Theory and Computation|October 27, 2023

Multipole Expansion of Atomic Electron Density Fluctuation Interactions in the Density-Functional Tight-Binding MethodVan-Quan Vuong, Bálint Aradi, Anders M N Niklasson, et al.

The Journal of Chemical Physics|February 12, 2026

Shadow molecular dynamics for flexible multipole modelsRae A Corrigan Grove, Robert Stanton, Michael E Wall, et al.

The Journal of Physical Chemistry Letters|February 19, 2026

High-Performance Semiempirical Excited-State Molecular Dynamics Powered by Graphics Processing UnitsVishikh Athavale, Maksim Kulichenko, Sebastian Fernandez-Alberti, et al.

Journal of Chemical Theory and Computation|November 20, 2015

Computation of the Density Matrix in Electronic Structure Theory in Parallel on Multiple Graphics Processing UnitsM J Cawkwell, M A Wood, Anders M N Niklasson, et al.

Journal of Chemical Theory and Computation|September 25, 2025

PYSEQM 2.0: Accelerated Semiempirical Excited-State Calculations on Graphical Processing UnitsVishikh Athavale, Nikita Fedik, William Colglazier, et al.

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