Pierre-Nicholas Roy

Affiliations: 
University of Waterloo, Waterloo, ON, Canada 
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"Pierre-Nicholas Roy"
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Schmidt M, Roy PN. (2022) On the accuracy and efficiency of different methods to calculate Raman vibrational shifts of parahydrogen clusters. The Journal of Chemical Physics. 156: 084102
Serwatka T, Roy PN. (2022) Ground state of asymmetric tops with DMRG: Water in one dimension. The Journal of Chemical Physics. 156: 044116
Schmidt M, Roy PN. (2022) Ground state chemical potential of parahydrogen clusters of size N = 21-40. The Journal of Chemical Physics. 156: 016101
Sahoo T, Serwatka T, Roy PN. (2021) A path integral ground state approach for asymmetric top rotors with nuclear spin symmetry: Application to water chains. The Journal of Chemical Physics. 154: 244305
Mainali S, Gatti F, Iouchtchenko D, et al. (2021) Comparison of the multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) method and the density matrix renormalization group (DMRG) for ground state properties of linear rotor chains. The Journal of Chemical Physics. 154: 174106
Marr A, Halverson T, Tripp A, et al. (2020) Vibrational Raman Shifts of Spin Isomer Combinations of Hydrogen Dimers and Isotopologues. The Journal of Physical Chemistry. A
Sahoo T, Iouchtchenko D, Herdman CM, et al. (2020) A path integral ground state replica trick approach for the computation of entanglement entropy of dipolar linear rotors. The Journal of Chemical Physics. 152: 184113
Islam SM, Havranek B, Ibnat Z, et al. (2020) New Insights into the Role of Hydrogen Bonding in Furanoside Binding to Protein. The Journal of Physical Chemistry. B
Vlugt IJSD, Iouchtchenko D, Merali E, et al. (2020) Reconstructing quantum molecular rotor ground states Physical Review B. 102: 35108
Ibrahim A, Wang L, Halverson T, et al. (2019) Equation of state and first principles prediction of the vibrational matrix shift of solid parahydrogen. The Journal of Chemical Physics. 151: 244501
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