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John E Pask

Showing results (1-10 of 16) with videos related to

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The Journal of Chemical Physics|September 10, 2018
Discrete discontinuous basis projection method for large-scale electronic structure calculationsQimen Xu, Phanish Suryanarayana, John E Pask
The Journal of Chemical Physics|May 8, 2025
GPU acceleration of hybrid functional calculations in the SPARC electronic structure codeXin Jing, Abhiraj Sharma, John E Pask, et al.
The Journal of Chemical Physics|March 9, 2022
Real-space density kernel method for Kohn-Sham density functional theory calculations at high temperatureQimen Xu, Xin Jing, Boqin Zhang, et al.
The Journal of Chemical Physics|July 28, 2020
Real-space formulation of the stress tensor for O(N) density functional theory: Application to high temperature calculationsAbhiraj Sharma, Sebastien Hamel, Mandy Bethkenhagen, et al.
Journal of Chemical Theory and Computation|June 12, 2025
Random Phase Approximation Correlation Energy Using Real-Space Density Functional Perturbation TheoryBoqin Zhang, Shikhar Shah, John E Pask, et al.
The Journal of Chemical Physics|December 26, 2023
Kohn-Sham accuracy from orbital-free density functional theory via Δ-machine learningShashikant Kumar, Xin Jing, John E Pask, et al.
The Journal of Chemical Physics|June 1, 2023
Assessing the source of error in the Thomas-Fermi-von Weizsäcker density functionalBishal Thapa, Xin Jing, John E Pask, et al.
The Journal of Chemical Physics|October 27, 2016
Chebyshev polynomial filtered subspace iteration in the discontinuous Galerkin method for large-scale electronic structure calculationsAmartya S Banerjee, Lin Lin, Wei Hu, et al.
Journal of Chemical Theory and Computation|April 17, 2018
Two-Level Chebyshev Filter Based Complementary Subspace Method: Pushing the Envelope of Large-Scale Electronic Structure CalculationsAmartya S Banerjee, Lin Lin, Phanish Suryanarayana, et al.
Physical Review. E|February 17, 2023
Properties of carbon up to 10 million kelvin from Kohn-Sham density functional theory molecular dynamicsMandy Bethkenhagen, Abhiraj Sharma, Phanish Suryanarayana, et al.
Pageof 2

Showing results (1-10 of 16) with videos related to

Sort By:
Pageof 2
The Journal of Chemical Physics|September 10, 2018
Discrete discontinuous basis projection method for large-scale electronic structure calculationsQimen Xu, Phanish Suryanarayana, John E Pask
The Journal of Chemical Physics|May 8, 2025
GPU acceleration of hybrid functional calculations in the SPARC electronic structure codeXin Jing, Abhiraj Sharma, John E Pask, et al.
The Journal of Chemical Physics|March 9, 2022
Real-space density kernel method for Kohn-Sham density functional theory calculations at high temperatureQimen Xu, Xin Jing, Boqin Zhang, et al.
The Journal of Chemical Physics|July 28, 2020
Real-space formulation of the stress tensor for O(N) density functional theory: Application to high temperature calculationsAbhiraj Sharma, Sebastien Hamel, Mandy Bethkenhagen, et al.
Journal of Chemical Theory and Computation|June 12, 2025
Random Phase Approximation Correlation Energy Using Real-Space Density Functional Perturbation TheoryBoqin Zhang, Shikhar Shah, John E Pask, et al.
The Journal of Chemical Physics|December 26, 2023
Kohn-Sham accuracy from orbital-free density functional theory via Δ-machine learningShashikant Kumar, Xin Jing, John E Pask, et al.
The Journal of Chemical Physics|June 1, 2023
Assessing the source of error in the Thomas-Fermi-von Weizsäcker density functionalBishal Thapa, Xin Jing, John E Pask, et al.
The Journal of Chemical Physics|October 27, 2016
Chebyshev polynomial filtered subspace iteration in the discontinuous Galerkin method for large-scale electronic structure calculationsAmartya S Banerjee, Lin Lin, Wei Hu, et al.
Journal of Chemical Theory and Computation|April 17, 2018
Two-Level Chebyshev Filter Based Complementary Subspace Method: Pushing the Envelope of Large-Scale Electronic Structure CalculationsAmartya S Banerjee, Lin Lin, Phanish Suryanarayana, et al.
Physical Review. E|February 17, 2023
Properties of carbon up to 10 million kelvin from Kohn-Sham density functional theory molecular dynamicsMandy Bethkenhagen, Abhiraj Sharma, Phanish Suryanarayana, et al.
Pageof 2