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Physical Review Letters|March 24, 2005
Efficient quantum monte carlo energies for molecular dynamics simulationsJeffrey C Grossman, Lubos MitasPhysical Review Letters|October 5, 2025
Quantum Monte Carlo Pair Orbital Wave Functions for Periodic SystemsLubos MitasPhysical Review Letters|November 13, 2008
Quantum Monte Carlo calculations of structural properties of FeO under pressureJindrich Kolorenc, Lubos MitasThe Journal of Chemical Physics|January 26, 2007
Energetics and dipole moment of transition metal monoxides by quantum Monte CarloLucas K Wagner, Lubos MitasPhysical Review. E|January 20, 2018
Quantum Monte Carlo with variable spins: Fixed-phase and fixed-node approximationsCody A Melton, Lubos MitasThe Journal of Chemical Physics|October 22, 2020
Binding and excitations in Si<sub>x</sub>H<sub>y</sub> molecular systems using quantum Monte CarloGuangming Wang, Abdulgani Annaberdiyev, Lubos MitasChemical Reviews|April 16, 2016
Noncovalent Interactions by Quantum Monte CarloMatúš Dubecký, Lubos Mitas, Petr JurečkaThe Journal of Chemical Physics|February 12, 2015
Communication: fixed-node errors in quantum Monte Carlo: interplay of electron density and node nonlinearitiesKevin M Rasch, Shuming Hu, Lubos MitasThe Journal of Chemical Physics|November 14, 2020
Fundamental gap of fluorographene by many-body GW and fixed-node diffusion Monte Carlo methodsMatúš Dubecký, František Karlický, Stanislav Minárik, et al.Pageof 19