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P

Pierre–Nicholas Roy

university of waterloo

32H指数
177论文数
2.9K被引数
收录论文 85
发表时间
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The quantum mechanical potential of mean force: density matrix formulation, estimators, and constrained path integral molecular dynamics integrators
errMOLECULAR PHYSICS
IF1.8
err2025-10-01
err0
PREAI
errIouchtchenko, Dmitri; Bishop, Kevin P.; Roy, Pierre-Nicholas
err分享
err收藏
Path-integral Monte Carlo simulations of solid parahydrogen using two-body, three-body, and four-body ab initio interaction potential energy surfaces基于两体、三体和四体从头算相互作用势能面的固态正氢路径积分蒙特卡罗模拟
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-04-22
err0
PREAI
errIbrahim, Alexander; Roy, Pierre-Nicholas
err分享
err收藏
A simple confined rotor model to describe the ro-translational dynamics of water endofullerenes and to assign the ro-vibrational spectra of solid H2O@C60一个简单的受限转子模型，用于描述水内富勒烯的转-平动动力学，并指认固体H2O@C60的转-振动光谱
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-04-10
err1
PREAI
errPutaud, T.; Chartrand, J. -C; Kalugina, Y.; Michaut, X.; Roy, P. -N
err分享
err收藏
Pair approximating the action for molecular rotations in path integral Monte Carlo
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-01-09
err0
PREAI
errMoeed, Muhammad Shaeer; Serwatka, Tobias; Roy, Pierre-Nicholas
err分享
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Path integral Monte Carlo in a discrete variable representation with Gibbs sampling: Dipolar planar rotor chain
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-01-02
err1
errOAAI
errZhang, Wenxue; Moeed, Muhammad Shaeer; Bright, Andrew; Serwatka, Tobias; De Oliveira, Estevao; Roy, Pierre-Nicholas
err分享
err收藏
A neural network-based four-body potential energy surface for parahydrogen
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-25
err0
PREAI
errIbrahim, Alexander; Roy, Pierre-Nicholas
err分享
err收藏
Ground states of planar dipolar rotor chains with recurrent neural networks
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-10
err2
PREAI
errSerwatka, Tobias; Roy, Pierre-Nicholas
err分享
err收藏
Quantum criticality in chains of planar rotors with dipolar interactions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-03-11
err4
errOAAI
errSerwatka, Tobias; Roy, Pierre-Nicholas
err分享
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Optimized basis sets for DMRG calculations of quantum chains of rotating water molecules
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-06-01
err3
errOAAI
errSerwatka, Tobias; Roy, Pierre-Nicholas
err分享
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On the nature of the Schottky anomaly in endohedral water
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-03-30
err1
PREAI
errSerwatka, Tobias; Yim, Spencer; Ayotte, Patrick; Roy, Pierre-Nicholas
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Ferroelectric water chains in carbon nanotubes: Creation and manipulation of ordered quantum phases
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-12-15
err10
PREAI
errSerwatka, Tobias; Pierre-Nicholas, Roy
err分享
err收藏
Equation of state of solid parahydrogen using ab initio two-body and three-body interaction potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-11-01
err5
PREAI
errIbrahim, Alexander; Roy, Pierre-Nicholas
err分享
err收藏
On the accuracy and efficiency of different methods to calculate Raman vibrational shifts of parahydrogen clusters
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-02-22
err0
PREAI
errSchmidt, Matthew; Roy, Pierre-Nicholas
err分享
err收藏
Ro-translational dynamics of confined water. I. The confined asymmetric rotor model
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-02-16
err4
PREAI
errWespiser, Clement; Putaud, Thomas; Kalugina, Yulia; Soldera, Armand; Roy, Pierre-Nicholas; Michaut, Xavier; Ayotte, Patrick
err分享
err收藏
Ground state of asymmetric tops with DMRG: Water in one dimension
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-01-27
err12
PREAI
errSerwatka, Tobias; Roy, Pierre-Nicholas
err分享
err收藏
Three-body potential energy surface for para-hydrogen
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-01-24
err6
PREAI
errIbrahim, Alexander; Roy, Pierre-Nicholas
err分享
err收藏
Path integral simulations of confined parahydrogen molecules within clathrate hydrates: Merging low temperature dynamics with the zero-temperature limit
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-01-04
err2
PREAI
errSchmidt, Matthew; Millar, Jayme; Roy, Pierre-Nicholas
err分享
err收藏
Ground state chemical potential of parahydrogen clusters of size N=21-40
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-01-04
err3
PREAI
errSchmidt, Matthew; Roy, Pierre-Nicholas
err分享
err收藏
A path integral ground state approach for asymmetric top rotors with nuclear spin symmetry: Application to water chains
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-06-23
err12
PREAI
errSahoo, Tapas; Serwatka, Tobias; Roy, Pierre-Nicholas
err分享
err收藏
Comparison of the multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) method and the density matrix renormalization group (DMRG) for ground state properties of linear rotor chains
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-05-05
err16
errOAAI
errMainali, Samrit; Gatti, Fabien; Iouchtchenko, Dmitri; Roy, Pierre-Nicholas; Meyer, Hans-Dieter
err分享
err收藏

研究方向

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合作学者
合作期刊
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Linda F. Nazar
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Hua Guo 封面图
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H 指数: 86 · 论文数: 1.1K
M
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N
Nino Russo
H 指数: 67 · 论文数: 658
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