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The Journal of Chemical Physics
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September 10, 2018
Discrete discontinuous basis projection method for large-scale electronic structure calculations
Qimen 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 code
Xin 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 temperature
Qimen 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 calculations
Abhiraj 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 Theory
Boqin 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 learning
Shashikant 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 functional
Bishal 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 calculations
Amartya 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 Calculations
Amartya 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 dynamics
Mandy Bethkenhagen, Abhiraj Sharma, Phanish Suryanarayana, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
September 10, 2018
Discrete discontinuous basis projection method for large-scale electronic structure calculations
Qimen 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 code
Xin 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 temperature
Qimen 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 calculations
Abhiraj 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 Theory
Boqin 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 learning
Shashikant 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 functional
Bishal 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 calculations
Amartya 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 Calculations
Amartya 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 dynamics
Mandy Bethkenhagen, Abhiraj Sharma, Phanish Suryanarayana, et al.
Page
of 2