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Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

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John E Pask

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The Journal of Chemical Physics|May 30, 2023

GPU acceleration of local and semilocal density functional calculations in the SPARC electronic structure codeAbhiraj Sharma, Alfredo Metere, Phanish Suryanarayana, et al.

Journal of Computational Chemistry|March 25, 2018

TopoMS: Comprehensive topological exploration for molecular and condensed-matter systemsHarsh Bhatia, Attila G Gyulassy, Vincenzo Lordi, et al.

The Journal of Chemical Physics|February 28, 2021

Implementation of Perdew-Zunger self-interaction correction in real space using Fermi-Löwdin orbitalsCarlos M Diaz, Phanish Suryanarayana, Qimen Xu, et al.

The Journal of Physical Chemistry. B|December 20, 2014

Lithium ion solvation and diffusion in bulk organic electrolytes from first-principles and classical reactive molecular dynamicsMitchell T Ong, Osvalds Verners, Erik W Draeger, et al.

The Journal of Physical Chemistry. A|February 15, 2021

Development of a Multiphase Beryllium Equation of State and Physics-based VariationsChristine J Wu, Philip C Myint, John E Pask, et al.

Physical Review. E|May 16, 2026

Machine-learned quantum molecular dynamics calculations of warm dense equation of state and ionic transport coefficients of deuterated waterMargaret L Berrens, Oleg Schilling, Evan B Bauer, et al.

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Search research articles

Showing results (11-20 of 16) with videos related to

Sort By:

Pageof 2

You have reached the last page of results.This site can display upto 16 results.

The Journal of Chemical Physics|May 30, 2023

GPU acceleration of local and semilocal density functional calculations in the SPARC electronic structure codeAbhiraj Sharma, Alfredo Metere, Phanish Suryanarayana, et al.

Journal of Computational Chemistry|March 25, 2018

TopoMS: Comprehensive topological exploration for molecular and condensed-matter systemsHarsh Bhatia, Attila G Gyulassy, Vincenzo Lordi, et al.

The Journal of Chemical Physics|February 28, 2021

Implementation of Perdew-Zunger self-interaction correction in real space using Fermi-Löwdin orbitalsCarlos M Diaz, Phanish Suryanarayana, Qimen Xu, et al.

The Journal of Physical Chemistry. B|December 20, 2014

Lithium ion solvation and diffusion in bulk organic electrolytes from first-principles and classical reactive molecular dynamicsMitchell T Ong, Osvalds Verners, Erik W Draeger, et al.

The Journal of Physical Chemistry. A|February 15, 2021

Development of a Multiphase Beryllium Equation of State and Physics-based VariationsChristine J Wu, Philip C Myint, John E Pask, et al.

Physical Review. E|May 16, 2026

Machine-learned quantum molecular dynamics calculations of warm dense equation of state and ionic transport coefficients of deuterated waterMargaret L Berrens, Oleg Schilling, Evan B Bauer, et al.

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