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The Journal of Chemical Physics|August 3, 2026
Active space selection with self-healing diffusion Monte Carlo algorithms for periodic solidsNicole Spanedda, Jaron T Krogel, Fernando A ReboredoScientific Reports|September 26, 2025
Multireference diffusion Monte Carlo reaches 2D materialsNicole Spanedda, Anouar Benali, Fernando A Reboredo, et al.The Journal of Chemical Physics|February 3, 2018
Kinetic energy classification and smoothing for compact B-spline basis sets in quantum Monte CarloJaron T Krogel, Fernando A ReboredoThe Journal of Chemical Physics|September 16, 2020
Hybridizing pseudo-Hamiltonians and non-local pseudopotentials in diffusion Monte CarloJaron T Krogel, Fernando A ReboredoThe Journal of Chemical Physics|July 17, 2017
Quantitative estimation of localization errors of 3d transition metal pseudopotentials in diffusion Monte CarloAllison L Dzubak, Jaron T Krogel, Fernando A ReboredoThe Journal of Chemical Physics|September 19, 2023
Evaluation of the excitation spectra with diffusion Monte Carlo on an auxiliary bosonic ground stateFernando A Reboredo, Paul R C Kent, Jaron T KrogelJournal of Chemical Theory and Computation|December 17, 2019
Electron Confinement and Magnetism of (LaTiO3)1/(SrTiO3)5 Heterostructure: A Diffusion Quantum Monte Carlo StudyJuan A Santana, Jaron T Krogel, Satoshi Okamoto, et al.The Journal of Chemical Physics|November 2, 2015
Many-body ab initio diffusion quantum Monte Carlo applied to the strongly correlated oxide NiOChandrima Mitra, Jaron T Krogel, Juan A Santana, et al.Journal of Chemical Theory and Computation|January 10, 2022
High Accuracy Transition Metal Effective Cores for the Many-Body Diffusion Monte Carlo MethodM Chandler Bennett, Fernando A Reboredo, Lubos Mitas, et al.Physical Chemistry Chemical Physics : PCCP|February 23, 2024
Predictions of delafossite-hosted honeycomb and kagome phasesJaron T Krogel, Tomohiro Ichibha, Kayahan Saritas, et al.Pageof 7