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The Journal of Chemical Physics|October 4, 2006
Path integral ground state study of finite-size systems: application to small (parahydrogen)N (N=2-20) clustersJavier Eduardo Cuervo, Pierre-Nicholas RoyThe Journal of Chemical Physics|September 17, 2005
Geometric constraints in semiclassical initial value representation calculations in Cartesian coordinates: accurate reduction in zero-point energyBilkiss B Issack, Pierre-Nicholas RoyThe Journal of Chemical Physics|August 11, 2007
Quantum molecular dynamics of hydrogen bonded complexes of rigid molecules using the semiclassical initial value representation in Cartesian coordinatesBilkiss B Issack, Pierre-Nicholas RoyProceedings of the ... International Conference on Machine Learning. International Conference on Machine Learning|May 15, 2010
Reinforcement Learning with Limited Reinforcement: Using Bayes Risk for Active Learning in POMDPsFinale Doshi, Joelle Pineau, Nicholas RoyJournal of Chemical Theory and Computation|November 22, 2015
Performance of the SCC-DFTB Model for Description of Five-Membered Ring Carbohydrate Conformations: Comparison to Force Fields, High-Level Electronic Structure Methods, and ExperimentShahidul M Islam, Pierre-Nicholas RoyThe Journal of Chemical Physics|September 28, 2004
Energy levels and wave functions of weakly-bound 4Hex 20NeyH (x+y=2) systems using Pekeris coordinates and a symmetry-adapted Lanczos approachYong Dong Liu, Pierre-Nicholas RoyThe Journal of Chemical Physics|January 1, 2018
Potential energy and dipole moment surfaces for HF@C60: Prediction of spectral and electric response propertiesYulia N Kalugina, Pierre-Nicholas RoyThe Journal of Chemical Physics|October 16, 2007
Semiclassical initial value representation treatment of a hydrogen bonded complex of rigid water molecules from a single trajectory in Cartesian coordinatesBilkiss B Issack, Pierre-Nicholas RoyThe Journal of Chemical Physics|September 26, 2009
Weakly bound complexes trapped in quantum matrices: Structure, energetics, and isomer coexistence in (para-H(2))(N)(ortho-D(2))(3) clustersJavier Eduardo Cuervo, Pierre-Nicholas RoyThe Journal of Chemical Physics|June 17, 2008
On the solid- and liquidlike nature of quantum clusters in their ground stateJavier Eduardo Cuervo, Pierre-Nicholas RoyPageof 10