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The Journal of Chemical Physics|December 24, 2018
Non-orthogonal determinants in multi-Slater-Jastrow trial wave functions for fixed-node diffusion Monte CarloShivesh Pathak, Lucas K WagnerThe Journal of Chemical Physics|January 27, 2021
Excited states in variational Monte Carlo using a penalty methodShivesh Pathak, Brian Busemeyer, João N B Rodrigues, et al.The Journal of Chemical Physics|March 15, 2013
Types of single particle symmetry breaking in transition metal oxides due to electron correlationLucas K WagnerPlos One|February 15, 2024
Building an ab initio solvated DNA model using Euclidean neural networksAlex J Lee, Joshua A Rackers, Shivesh Pathak, et al.Physical Review Letters|May 16, 2015
Computation of the correlated metal-insulator transition in vanadium dioxide from first principlesHuihuo Zheng, Lucas K WagnerThe Journal of Chemical Physics|January 26, 2007
Energetics and dipole moment of transition metal monoxides by quantum Monte CarloLucas K Wagner, Lubos MitasPhysical Review Letters|February 27, 2018
Erratum: Computation of the Correlated Metal-Insulator Transition in Vanadium Dioxide from First Principles [Phys. Rev. Lett. 114, 176401 (2015)]Huihuo Zheng, Lucas K WagnerThe Journal of Chemical Physics|March 22, 2023
PyQMC: An all-Python real-space quantum Monte Carlo module in PySCFWilliam A Wheeler, Shivesh Pathak, Kevin G Kleiner, et al.Physical Review. E|August 31, 2016
Using local operator fluctuations to identify wave function improvementsKiel T Williams, Lucas K WagnerPhysical Review Letters|September 28, 2010
Quantum Monte Carlo calculations for minimum energy structuresLucas K Wagner, Jeffrey C GrossmanPageof 4