Publications

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Author Title Type [ Year(Desc)]
2013
Zeng, T. ; Li, H. ; Roy, P. - N. . Simulating Asymmetric Top Impurities In Superfluid Clusters: A Para-Water Dopant In Para-Hydrogen. The journal of physical chemistry letters 2013, 4, 18–22.
Li, H. ; Zhang, X. - L. ; Le Roy, R. J. ; Roy, P. - N. . Analytic Morse/Long-Range Potential Energy Surfaces And Predicted Infrared Spectra For Co–H2 Dimer And Frequency Shifts Of Co In (Para-H2) Nn= 1–20 Clusters. The Journal of chemical physics 2013, 139, 164315.
Tritzant-Martinez, Y. ; Zeng, T. ; Broom, A. ; Meiering, E. ; Le Roy, R. J. ; Roy, P. - N. . On The Analytical Representation Of Free Energy Profiles With A Morse/Long-Range Model: Application To The Water Dimer. The Journal of chemical physics 2013, 138, 234103.
Constable, S. ; Schmidt, M. ; Ing, C. ; Zeng, T. ; Roy, P. - N. . Langevin Equation Path Integral Ground State. The Journal of Physical Chemistry A 2013, 117, 7461–7467.
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. ; 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.
Guillon, G. ; Zeng, T. ; Roy, P. - N. . On The Origin And Convergence Of A Post-Quantization Constrained Propagator For Path Integral Simulations Of Rigid Bodies. The Journal of chemical physics 2013, 138, 184101.
Zeng, T. ; Guillon, G. ; Cantin, J. T. ; Roy, P. - N. . Probing The Superfluid Response Of Para-Hydrogen With A Sulfur Dioxide Dopant. The journal of physical chemistry letters 2013, 4, 2391–2396.
2014
Herdman, C. M. ; Roy, P. - N. ; Melko, R. G. ; Del Maestro, A. . Particle Entanglement In Continuum Many-Body Systems Via Quantum Monte Carlo. Physical Review B 2014, 89, 140501.
Herdman, C. M. ; Inglis, S. ; Roy, P. - N. ; Melko, R. G. ; Del Maestro, A. . Path-Integral Monte Carlo Method For Rényi Entanglement Entropies. Phys. Rev. E 2014, 90, 013308.
Schmidt, M. ; Constable, S. ; Ing, C. ; Roy, P. - N. . Inclusion Of Trial Functions In The Langevin Equation Path Integral Ground State Method: Application To Parahydrogen Clusters And Their Isotopologues. The Journal of chemical physics 2014, 140, 234101.
Zeng, T. ; Roy, P. - N. . Microscopic Molecular Superfluid Response: Theory And Simulations. Reports on Progress in Physics 2014, 77, 046601.
Zhang, X. - L. ; Li, H. ; Le Roy, R. J. ; Roy, P. - N. . Microwave And Infrared Spectra Of Co–(Ph2) 2, Co–(Od2) 2, And Mixed Co–Ph2–He Trimers. Theoretical Chemistry Accounts 2014, 133, 1568.
Faruk, N. ; Schmidt, M. ; Li, H. ; Le Roy, R. J. ; Roy, P. - N. . First-Principles Prediction Of The Raman Shifts In Parahydrogen Clusters. The Journal of chemical physics 2014, 141, 014310.
Schmidt, M. ; Constable, S. ; Ing, C. ; Roy, P. - N. . Inclusion Of Trial Functions In The Langevin Equation Path Integral Ground State Method: Application To Parahydrogen Clusters And Their Isotopologues. The Journal of chemical physics 2014, 140, 234101.
Zeng, T. ; Roy, P. - N. . Microscopic Molecular Superfluid Response: Theory And Simulations. Reports on Progress in Physics 2014, 77, 046601.
Herdman, C. M. ; Roy, P. - N. ; Melko, R. G. ; Del Maestro, A. . Particle Entanglement In Continuum Many-Body Systems Via Quantum Monte Carlo. Physical Review B 2014, 89, 140501.
Schmidt, M. ; Constable, S. ; Ing, C. ; Roy, P. - N. . Inclusion Of Trial Functions In The Langevin Equation Path Integral Ground State Method: Application To Parahydrogen Clusters And Their Isotopologues. The Journal of chemical physics 2014, 140, 234101.
Zeng, T. ; Roy, P. - N. . Microscopic Molecular Superfluid Response: Theory And Simulations. Reports on Progress in Physics 2014, 77, 046601.
Zhang, X. - L. ; Li, H. ; Le Roy, R. J. ; Roy, P. - N. . Microwave And Infrared Spectra Of Co–(Ph2) 2, Co–(Od2) 2, And Mixed Co–Ph2–He Trimers. Theoretical Chemistry Accounts 2014, 133, 1568.

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