Publications

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Author Title [ Type(Desc)] Year
Conference Paper
Li, H. ; Le Roy, R. J. ; Roy, P. - N. . Quantum Monte Carlo Prediction Of Vibrational Frequency Shifts For Co–(P-H_2) _N Clusters. In 65th International Symposium On Molecular Spectroscopy; 2010; Vol. 65, p. MF03.
Li, H. ; McKellar, A. R. W. ; Le Roy, R. J. ; Roy, A. - N. . Theoretical And Experimental Study Of The Infrared Spectra Of Co_2-(Para-H_2) _2 Trimers. In 65th International Symposium On Molecular Spectroscopy; 2010; Vol. 65, p. MF02.
Li, H. ; Roy, P. - N. ; Le Roy, R. J. . Quantum Solvation Of Co_2 By He Atoms: From Onset To Nanodroplet. In 64th International Symposium On Molecular Spectroscopy; 2009; Vol. 64, p. FB01.
Roy, P. - N. ; Blinov, N. ; Issack, B. . Phys 136-Quantum Molecular Dynamics And Quantum Statistics: Imaginary And Real Time Treatments. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY; AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2007; Vol. 234.
Seo, M. ; Kitova, E. N. ; Klassen, J. S. ; Roy, P. - N. . Phys 434-Intermolecular Interactions Of Charged Protein-Ligand Complexes In The Gas Phase: A Molecular Dynamics Study. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY; AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2007; Vol. 234.
Roy, P. - N. ; Blinov, N. . Molecular Rotation In Doped Quantum Clusters. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY; AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2006; Vol. 231.
Huh, Y. ; Roy, P. - N. . Inclusion Of Inversion Symmetry In Centroid Molecular Dynamics. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY; AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2006; Vol. 231.
Blinov, N. ; Roy, P. - N. ; Jäger, W. . Recurrences In Rotational Dynamics And Superfluid Response In Doped He-Hcccn And He-N 2 O Clusters. In APS March Meeting Abstracts; 2006; pp. P11–002.
Roy, P. N. ; Blinov, N. . Path Integral Method To Study Rotations In Doped Helium Clusters: Application To He-N-Ocs And He-N-N2O. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY; AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2004; Vol. 227, pp. U248–U248.
Roy, P. N. ; Blinov, N. . Molecular Dynamics With Quantum Statistics: A Path Integral Approach. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY; AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2001; Vol. 222, pp. U234–U234.
Journal Article
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. . Quantum Criticality In Chains Of Planar Rotors With Dipolar Interactions. The Journal of Chemical Physics 2024, 160, 104302.
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. ; 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.
Serwatka, T. ; Roy, P. - N. . Optimized Basis Sets For Dmrg Calculations Of Quantum Chains Of Rotating Water Molecules. arXiv preprint arXiv:2304.09410 2023.
Serwatka, T. ; Roy, P. - N. . Quantum Criticality And Universal Behavior In Molecular Dipolar Lattices Of Endofullerenes. arXiv preprint arXiv:2304.09404 2023.
Serwatka, T. ; Melko, R. G. ; Burkov, A. ; Roy, P. - N. . Quantum Phase Transition In The One-Dimensional Water Chain. Physical Review Letters 2023, 130, 026201.
Serwatka, T. ; Roy, P. - N. . Ferroelectric Water Chains In Carbon Nanotubes: Creation And Manipulation Of Ordered Quantum Phases. The Journal of Chemical Physics 2022, 157, 234301.
Schmidt, M. ; Roy, P. - N. . On The Accuracy And Efficiency Of Different Methods To Calculate Raman Vibrational Shifts Of Parahydrogen Clusters. The Journal of Chemical Physics 2022, 156, 084102.
Ibrahim, A. ; Roy, P. - N. . Equation Of State Of Solid Parahydrogen Using Ab Initio Two-Body And Three-Body Interaction Potentials. The Journal of Chemical Physics 2022, 157, 174503.

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