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The Journal of Chemical Physics|June 1, 2023
Optimized basis sets for DMRG calculations of quantum chains of rotating water moleculesTobias Serwatka, Pierre-Nicholas RoyThe Journal of Chemical Physics|March 2, 2022
On the accuracy and efficiency of different methods to calculate Raman vibrational shifts of parahydrogen clustersMatthew Schmidt, Pierre-Nicholas RoyThe Journal of Chemical Physics|January 9, 2022
Ground state chemical potential of parahydrogen clusters of size N = 21-40Matthew Schmidt, Pierre-Nicholas RoyThe Journal of Chemical Physics|March 11, 2024
Quantum criticality in chains of planar rotors with dipolar interactionsTobias Serwatka, Pierre-Nicholas RoyThe Journal of Chemical Physics|June 10, 2024
Ground states of planar dipolar rotor chains with recurrent neural networksTobias Serwatka, Pierre-Nicholas RoyThe Journal of Chemical Physics|April 2, 2018
Path integral molecular dynamic simulation of flexible molecular systems in their ground state: Application to the water dimerMatthew Schmidt, Pierre-Nicholas RoyThe Journal of Chemical Physics|November 8, 2022
Equation of state of solid parahydrogen using ab initio two-body and three-body interaction potentialsAlexander Ibrahim, Pierre-Nicholas RoyThe Journal of Chemical Physics|April 22, 2025
Path-integral Monte Carlo simulations of solid parahydrogen using two-body, three-body, and four-body ab initio interaction potential energy surfacesAlexander Ibrahim, Pierre-Nicholas RoyThe Journal of Chemical Physics|March 17, 2018
Quantum mechanical free energy profiles with post-quantization restraints: Binding free energy of the water dimer over a broad range of temperaturesKevin P Bishop, Pierre-Nicholas RoyThe Journal of Physical Chemistry. A|April 21, 2006
Excited States of weakly bound bosonic clusters: discrete variable representation and quantum Monte CarloM P Nightingale, Pierre-Nicholas RoyPageof 10