Contact Waterloo Institute for Nanotechnology
Mike & Ophelia Lazaridis Quantum-Nano Centre, Room 3606
University of Waterloo
200 University Ave. W.
Waterloo, ON. N2L 3G1
+1 519 888 4567, ext.38654
Research interests: dynamics of complex molecular systems; Path Integral simulations of quantum fluids; development of semi-classical quantum dynamics approaches
Professor Pierre-Nicholas Roy is a current Canada Research Chair and previously was a University Research Chair. He received his Ph.D. from the Université de Montréal in 1997 and joined the University of Waterloo as a Professor in 2008.
- Ph.D., Theoretical Chemistry, Université de Montréal, 1997
- M.Sc., Theoretical Chemistry, Université de Montréal, 1993
- B.Sc., Chemistry, McGill University, 1990
- Formal developments of the Feynman Path centroid approach for systems obeying Bose-Einstein statistics
- Path Integral simulations of quantum fluids
- Simulations of doped helium nano-droplets
- Exact Quantum Dynamics of weakly bound clusters
- Molecular Dynamics simulation of Protein-ligand systems in solution and in the gas phase
- Dynamics of hydrogen bonded complexes and proton transfer
- Development of semi-classical quantum dynamics approaches
- T. Zeng, G. Guillon, and P.-N. Roy, “Measuring the response of superfluid clusters in a quantum mechanical frame of reference”, to be submitted.
- L. Wang, R,J, Le Roy, and P.-N. Roy, “Equation of State and A Priori Prediction of the Vibrational Matrix Shift of Solid para-H2”, to be submitted
- K. P. Bishop and P.-N. Roy, “Free energy profiles of the water dimer using path integral umbrella sampling: method and assessment of the magnitude of quantum effects”, under revision
- D. Iouchtchenko and P.-N. Roy, “Estimating ground state entanglement entropy using path integral molecular dynamics”, Recent Progress in Quantum Monte Carlo: ACS Symposium Series, in press
- C. M. Herdman, P.-N. Roy, R. G. Melko, A. Del Maestro, “Spatial entanglement entropy in the ground state of the Lieb-Liniger model”, Phys. Rev. B 94, 064524 (2016). doi: 10.1103/PhysRevB. 94.064524
- R. G. Melko, C. M. Herdman, D. Iouchtchenko, P.-N. Roy, and A Del Maestro, “Entangling qubit registers via many-body states of ultracold atoms”, Phys. Rev. A 93, 042336 (2016). doi: 10.1103/ PhysRevA.93.042336
- T. Zeng, N. Blinov, G. Guillon, H. Li, K. Bishop, P.-N. Roy, “MoRiBS-PIMC: a program to simulate molecular rotors in bosonic solvents using path-integral Monte Carlo”, Comp. Phys. Comm. 204, 170–188 (2016).
- M. Schmidt, J. M. Fernández, N. Faruk, M. Nooijen, R. J. Le Roy, J. H. Morilla, G. Tejeda, S. Montero, and P.-N. Roy, “Raman Vibrational Shifts of Small Clusters of Hydrogen Isotopologues” J. Phys. Chem. A, DOI: 10.1021/acs.jpca.5b08852
- K. P. Bishop, Nabil F. Faruk, Steve C. Constable, Pierre-Nicholas Roy, “OpenMM Accelerated MMTK”, Comp. Phys. Comm. 19, 203–208 (2015).
- T. Zeng, H. Li, P.-N. Roy, “Perspective: quantum chemistry and path-integral Monte Carlo in of the study of microscopic superfluidity”, Int. J. Quantum Chem. 115, 535 (2015).
- X.-L.Zhang, H. Li, R. J. Le Roy and P.-N. Roy, “"Microwave and infrared spectra of CO–(pH2)2, CO–(oD2)2, and mixed CO–pH2–He trimers”, Theo. Chem. Acc. 133, 1569 (2014). DOI:10.1007/ s00214-014-1568-4
- (For the full list, see here.)