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The Journal of Chemical Physics
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February 3, 2018
Kinetic energy classification and smoothing for compact B-spline basis sets in quantum Monte Carlo
Jaron T Krogel, Fernando A Reboredo
The Journal of Chemical Physics
|
September 16, 2020
Hybridizing pseudo-Hamiltonians and non-local pseudopotentials in diffusion Monte Carlo
Jaron T Krogel, Fernando A Reboredo
The Journal of Chemical Physics
|
April 24, 2026
Assessing orbital optimization in variational and diffusion Monte Carlo
Cody A Melton, Jaron T Krogel
Journal of Chemical Theory and Computation
|
November 1, 2022
Machine Learning Diffusion Monte Carlo Energies
Kevin Ryczko, Jaron T Krogel, Isaac Tamblyn
The Journal of Chemical Physics
|
July 3, 2017
Magnitude of pseudopotential localization errors in fixed node diffusion quantum Monte Carlo
Jaron T Krogel, P R C Kent
Journal of Chemical Theory and Computation
|
March 18, 2024
Enhanced Twist-Averaging Technique for Magnetic Metals: Applications Using Quantum Monte Carlo
Abdulgani Annaberdiyev, Panchapakesan Ganesh, Jaron T Krogel
The Journal of Chemical Physics
|
July 9, 2021
Toward quantum Monte Carlo forces on heavier ions: Scaling properties
Juha Tiihonen, Raymond C Clay, Jaron T Krogel
The Journal of Chemical Physics
|
July 17, 2017
Quantitative estimation of localization errors of 3d transition metal pseudopotentials in diffusion Monte Carlo
Allison L Dzubak, Jaron T Krogel, Fernando A Reboredo
The Journal of Physical Chemistry. A
|
March 16, 2021
From Molecules to Solids: A vdW-DF-C09 Case Study of the Mercury Dihalides
Valentino R Cooper, Jaron T Krogel, Kelling J Donald
The Journal of Chemical Physics
|
February 9, 2022
Surrogate Hessian accelerated structural optimization for stochastic electronic structure theories
Juha Tiihonen, Paul R C Kent, Jaron T Krogel
Page
of 5
Search research articles
Search
Showing results (1-10 of 48) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
February 3, 2018
Kinetic energy classification and smoothing for compact B-spline basis sets in quantum Monte Carlo
Jaron T Krogel, Fernando A Reboredo
The Journal of Chemical Physics
|
September 16, 2020
Hybridizing pseudo-Hamiltonians and non-local pseudopotentials in diffusion Monte Carlo
Jaron T Krogel, Fernando A Reboredo
The Journal of Chemical Physics
|
April 24, 2026
Assessing orbital optimization in variational and diffusion Monte Carlo
Cody A Melton, Jaron T Krogel
Journal of Chemical Theory and Computation
|
November 1, 2022
Machine Learning Diffusion Monte Carlo Energies
Kevin Ryczko, Jaron T Krogel, Isaac Tamblyn
The Journal of Chemical Physics
|
July 3, 2017
Magnitude of pseudopotential localization errors in fixed node diffusion quantum Monte Carlo
Jaron T Krogel, P R C Kent
Journal of Chemical Theory and Computation
|
March 18, 2024
Enhanced Twist-Averaging Technique for Magnetic Metals: Applications Using Quantum Monte Carlo
Abdulgani Annaberdiyev, Panchapakesan Ganesh, Jaron T Krogel
The Journal of Chemical Physics
|
July 9, 2021
Toward quantum Monte Carlo forces on heavier ions: Scaling properties
Juha Tiihonen, Raymond C Clay, Jaron T Krogel
The Journal of Chemical Physics
|
July 17, 2017
Quantitative estimation of localization errors of 3d transition metal pseudopotentials in diffusion Monte Carlo
Allison L Dzubak, Jaron T Krogel, Fernando A Reboredo
The Journal of Physical Chemistry. A
|
March 16, 2021
From Molecules to Solids: A vdW-DF-C09 Case Study of the Mercury Dihalides
Valentino R Cooper, Jaron T Krogel, Kelling J Donald
The Journal of Chemical Physics
|
February 9, 2022
Surrogate Hessian accelerated structural optimization for stochastic electronic structure theories
Juha Tiihonen, Paul R C Kent, Jaron T Krogel
Page
of 5