Publications

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Author [ Title(Desc)] Type Year
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Serwatka, T. ; Yim, S. ; Ayotte, P. ; Roy, P. - N. . On The Nature Of The Schottky Anomaly In Endohedral Water. The Journal of Chemical Physics 2023, 158, 124310.
Wang, L. ; Xie, D. ; Le Roy, R. J. ; Roy, P. - N. . A New Four-Dimensional Ab Initio Potential Energy Surface For N2O–He And Vibrational Band Origin Shifts For The N2O–He N Clusters With N= 1–40. The Journal of chemical physics 2012, 137, 104311.
Wang, L. ; Xie, D. ; Le Roy, R. J. ; Roy, P. - N. . A New Four-Dimensional Ab Initio Potential Energy Surface For N2O–He And Vibrational Band Origin Shifts For The N2O–He N Clusters With N= 1–40. The Journal of chemical physics 2012, 137, 104311.
Wang, L. ; Xie, D. ; Le Roy, R. J. ; Roy, P. - N. . A New Four-Dimensional Ab Initio Potential Energy Surface For N2O–He And Vibrational Band Origin Shifts For The N2O–He N Clusters With N= 1–40. The Journal of chemical physics 2012, 137, 104311.
Islam, S. M. ; Havranek, B. ; Ibnat, Z. ; Roy, P. - N. . New Insights Into The Role Of Hydrogen Bonding In Furanoside Binding To Protein. The Journal of Physical Chemistry B 2020, 124, 1919–1927.
Guillon, G. ; Zeng, T. ; Roy, P. - N. . A New Post-Quantization Constrained Propagator For Rigid Tops For Use In Path Integral Quantum Simulations. The Journal of chemical physics 2013, 139, 184115.
Guillon, G. ; Zeng, T. ; Roy, P. - N. . A New Post-Quantization Constrained Propagator For Rigid Tops For Use In Path Integral Quantum Simulations. The Journal of chemical physics 2013, 139, 184115.
Guillon, G. ; Zeng, T. ; Roy, P. - N. . A New Post-Quantization Constrained Propagator For Rigid Tops For Use In Path Integral Quantum Simulations. The Journal of chemical physics 2013, 139, 184115.
Wang, L. ; Le Roy, R. J. ; Roy, P. - N. ; Xie, D. . A New Potential Energy Surface For H_2–N_2O And Pimc Simulation Probing Superfluidity And Vibrational Frequency Shifts In Doped Para-H_2 Clusters. In 68th International Symposium on Molecular Spectroscopy; 2013; p. EWG02.
Wang, L. ; Xie, D. ; Li, H. ; Le Roy, R. J. ; Roy, P. - N. . A New Potential Energy Surface For N_2O–He, And Pimc Simulations Probing Infrared Spectra And Superfluidity. In 65th International Symposium On Molecular Spectroscopy; 2010; Vol. 65, p. RI07.
Wang, L. ; Xie, D. ; Le Roy, R. J. ; Roy, P. - N. . A New Six-Dimensional Potential Energy Surface For H2–N2O And Its Adiabatic-Hindered-Rotor Treatment. The Journal of chemical physics 2013, 139, 034312.
Wang, L. ; Xie, D. ; Le Roy, R. J. ; Roy, P. - N. . A New Six-Dimensional Potential Energy Surface For H2–N2O And Its Adiabatic-Hindered-Rotor Treatment. The Journal of chemical physics 2013, 139, 034312.
Wang, L. ; Xie, D. ; Le Roy, R. J. ; Roy, P. - N. . A New Six-Dimensional Potential Energy Surface For H2–N2O And Its Adiabatic-Hindered-Rotor Treatment. The Journal of chemical physics 2013, 139, 034312.
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Bishop, K. P. ; Constable, S. ; Faruk, N. F. ; Roy, P. - N. . Openmm Accelerated Mmtk. Computer Physics Communications 2015, 191, 203–208.
Blinov, N. ; Roy, P. - N. . Operator Formulation Of Centroid Dynamics For Bose–Einstein And Fermi–Dirac Statistics. The Journal of Chemical Physics 2001, 115, 7822–7831.
Blinov, N. ; Roy, P. - N. . Operator Formulation Of Centroid Dynamics For Bose–Einstein And Fermi–Dirac Statistics. The Journal of Chemical Physics 2001, 115, 7822–7831.
Blinov, N. ; Roy, P. - N. . Operator Formulation Of Centroid Dynamics For Bose–Einstein And Fermi–Dirac Statistics. The Journal of Chemical Physics 2001, 115, 7822–7831.
Orr, L. ; Roy, P. - N. . Operator Formulation Of Feynman Path Centroid Dynamics For Rotations. The Journal of Physical Chemistry A 2024, 128, 3419–3433.
Serwatka, T. ; Roy, P. - N. . Optimized Basis Sets For Dmrg Calculations Of Quantum Chains Of Rotating Water Molecules. The Journal of Chemical Physics 2023, 158, 214103.
Serwatka, T. ; Roy, P. - N. . Optimized Basis Sets For Dmrg Calculations Of Quantum Chains Of Rotating Water Molecules. arXiv preprint arXiv:2304.09410 2023.

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