Pierre-Nicholas Roy

发表

WEAKLY BOUND QUANTUM CLUSTERS AT ULTRA LOW TEMPERATURES: RIGID OR LIQUID?

Pierre-Nicholas Roy, Javier Eduardo Cuervo, Massimo Boninsegni, 2007 .

MoRiBS-PIMC: A program to simulate molecular rotors in bosonic solvents using path-integral Monte Carlo

Tao Zeng, Pierre-Nicholas Roy, Hui Li, 2016, Comput. Phys. Commun..

APPLICATIONS OF PATH INTEGRAL LANGEVIN DYNAMICS TO WEAKLY BOUND CLUSTERS AND BIOLOGICAL MOLECULES

Pierre-Nicholas Roy, Jing Yang, Christopher Ing, 2011 .

THEORETICAL AND EXPERIMENTAL STUDY OF THE ROVIBRATIONAL SPECTRA OF CO$_2$-({\em para}-H$_2$)-He TRIMERS

Robert J. Le Roy, Hui Li, Pierre-Nicholas Roy, 2011 .

MOLECULAR DYNAMICS SIMULATIONS ON VARIOUS WEAKLY BOUND WATER-PARAHYDROGEN SYSTEMS AT ULTRACOLD TEMPERATURE

Pierre-Nicholas Roy, Jing Yang, Christopher Ing, 2012 .

ASYMMETRIC TOP ROTORS IN SUPERFLUID {\em PARA}-HYDROGEN NANO-CLUSTERS

Hui Li, Pierre-Nicholas Roy, Tao Zeng, 2012 .

SIMULATION STUDIES OF THE VIBRATIONAL DYNAMICS OF ${\mathit para}$-HYDROGEN CLUSTERS

Robert J. Le Roy, Jing Yang, Pierre-Nicholas Roy, 2011 .

Reconstructing quantum molecular rotor ground states

Pierre-Nicholas Roy, Roger G. Melko, Isaac J.S. De Vlugt, 2020 .

EFFECTIVE POTENTIAL APPROACH TO THE SIMULATION OF LARGE PARA-HYDROGEN \\ CLUSTERS AND DROPLETS

Pierre-Nicholas Roy, Jing Yang, 2011 .

OpenMM accelerated MMTK

Pierre-Nicholas Roy, Steve Constable, Kevin P. Bishop, 2015, Comput. Phys. Commun..

THEORETICAL AND EXPERIMENTAL STUDY OF THE INFRARED SPECTRA OF CO$_2$-({\em para}-H$_2$)$_2$ TRIMERS

Robert J. Le Roy, Hui Li, Pierre-Nicholas Roy, 2010 .

Performance of the SCC-DFTB Model for Description of Five-Membered Ring Carbohydrate Conformations: Comparison to Force Fields, High-Level Electronic Structure Methods, and Experiment.

Pierre-Nicholas Roy, Shahidul M Islam, S. Islam, 2012, Journal of chemical theory and computation.

Excited States of weakly bound bosonic clusters: discrete variable representation and quantum Monte Carlo.

Pierre-Nicholas Roy, M P Nightingale, 2006, The journal of physical chemistry. A.

On the analytical representation of free energy profiles with a Morse/long-range model: application to the water dimer.

Tao Zeng, Pierre-Nicholas Roy, Aron Broom, 2013, The Journal of chemical physics.

Conformational Studies of Methyl β-d-Arabinofuranoside Using the AMBER/GLYCAM Approach.

Pierre-Nicholas Roy, Norberto Castillo, Todd L Lowary, 2009, Journal of chemical theory and computation.

Conformational Analysis of Oligoarabinofuranosides: Overcoming Torsional Barriers with Umbrella Sampling.

Pierre-Nicholas Roy, Todd L Lowary, Shahidul M Islam, 2011, Journal of chemical theory and computation.

A Feynman path centroid dynamics approach for the computation of time correlation functions involving nonlinear operators

Pierre-Nicholas Roy, David R. Reichman, Gregory A. Voth, 2000 .

An evaluation of methods designed to calculate energy levels in a selected range and application to a (one‐dimensional) Morse oscillator and (three‐dimensional) HCN/HNC

Pierre-Nicholas Roy, Tucker Carrington, T. Carrington, 1995 .

Connection between the observable and centroid structural properties of a quantum fluid: application to liquid para-hydrogen.

Pierre-Nicholas Roy, N. Blinov, P. Roy, 2004, The Journal of chemical physics.

Energy levels and wave functions of weakly-bound 4Hex 20NeyH (x+y=2) systems using Pekeris coordinates and a symmetry-adapted Lanczos approach.

Pierre-Nicholas Roy, P. Roy, Yong Dong Liu, 2004, The Journal of chemical physics.