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The Journal of Chemical Physics|September 9, 2018
An efficient hybrid orbital representation for quantum Monte Carlo calculationsYe Luo, Kenneth P Esler, Paul R C Kent, et al.
Physical Chemistry Chemical Physics : PCCP|June 24, 2016
Quantum Monte Carlo analysis of a charge ordered insulating antiferromagnet: the Ti4O7 Magnéli phaseAnouar Benali, Luke Shulenburger, Jaron T Krogel, et al.
Journal of Chemical Theory and Computation|December 1, 2025
A High-Efficiency Delayed Update Algorithm for Evaluating Slater Determinants in Quantum Monte CarloYe Luo, Jeongnim Kim, Paul R C Kent
The Journal of Chemical Physics|November 14, 2020
Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids-A case study in diamondAnouar Benali, Kevin Gasperich, Kenneth D Jordan, et al.
Scientific Reports|May 15, 2023
Existence of La-site antisite defects in [Formula: see text] ([Formula: see text], Fe, and Co) predicted with many-body diffusion quantum Monte CarloTom Ichibha, Kayahan Saritas, Jaron T Krogel, et al.
The Journal of Chemical Physics|July 9, 2021
Frontiers of stochastic electronic structure calculationsMiguel A Morales-Silva, Kenneth D Jordan, Luke Shulenburger, et al.
Journal of Chemical Theory and Computation|November 21, 2015
Application of Diffusion Monte Carlo to Materials Dominated by van der Waals InteractionsAnouar Benali, Luke Shulenburger, Nichols A Romero, et al.
The Journal of Chemical Physics|September 17, 2018
A new generation of effective core potentials from correlated calculations: 2nd row elementsM Chandler Bennett, Guangming Wang, Abdulgani Annaberdiyev, et al.
Science (New York, N.Y.)|July 28, 2018
Toward a predictive theory of correlated materialsPaul R C Kent, Gabriel Kotliar
The Journal of Chemical Physics|October 17, 2019
A new generation of effective core potentials from correlated calculations: 4s and 4p main group elements and first row additionsGuangming Wang, Abdulgani Annaberdiyev, Cody A Melton, et al.
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