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ring polymer molecular dynamics

Path integral formulation page on SklogWiki - a wiki for statistical  mechanics and thermodynamics
Path integral formulation page on SklogWiki - a wiki for statistical mechanics and thermodynamics

PDF] Coherent state mapping ring polymer molecular dynamics for  non-adiabatic quantum propagations. | Semantic Scholar
PDF] Coherent state mapping ring polymer molecular dynamics for non-adiabatic quantum propagations. | Semantic Scholar

RPMD Introduction | Green Research Group
RPMD Introduction | Green Research Group

Ring Polymer Molecular Dynamics simulation - YouTube
Ring Polymer Molecular Dynamics simulation - YouTube

Effect of molecular architecture on ring polymer dynamics in semidilute  linear polymer solutions | Nature Communications
Effect of molecular architecture on ring polymer dynamics in semidilute linear polymer solutions | Nature Communications

Ring Polymer Molecular Dynamics Approach to Quantum Dissociative  Chemisorption Rates | The Journal of Physical Chemistry Letters
Ring Polymer Molecular Dynamics Approach to Quantum Dissociative Chemisorption Rates | The Journal of Physical Chemistry Letters

First-principles surface reaction rates by ring polymer molecular dynamics  and neural network potential: role of anharmonicity and lattice motion -  Chemical Science (RSC Publishing)
First-principles surface reaction rates by ring polymer molecular dynamics and neural network potential: role of anharmonicity and lattice motion - Chemical Science (RSC Publishing)

Ab initio path integral ring polymer molecular dynamics: Vibrational  spectra of molecules - ScienceDirect
Ab initio path integral ring polymer molecular dynamics: Vibrational spectra of molecules - ScienceDirect

RPMDrate | Green Research Group
RPMDrate | Green Research Group

Figure S7: Variation of the ring polymer molecular dynamics, RPMD (k... |  Download Scientific Diagram
Figure S7: Variation of the ring polymer molecular dynamics, RPMD (k... | Download Scientific Diagram

Althorpe Group Cambridge
Althorpe Group Cambridge

Chemical Reaction Rate Coefficients from Ring Polymer Molecular Dynamics:  Theory and Practical Applications | The Journal of Physical Chemistry A
Chemical Reaction Rate Coefficients from Ring Polymer Molecular Dynamics: Theory and Practical Applications | The Journal of Physical Chemistry A

Accelerating ring-polymer Molecular Dynamics using hyperdynamics | Semantic  Scholar
Accelerating ring-polymer Molecular Dynamics using hyperdynamics | Semantic Scholar

Molecular Dynamics Simulations of Ring Shapes on a Ring Fraction in Ring–Linear  Polymer Blends | Macromolecules
Molecular Dynamics Simulations of Ring Shapes on a Ring Fraction in Ring–Linear Polymer Blends | Macromolecules

GitHub - ks838/Ring-Polymer-Molecular-Dynamics-in-Python-and-cpp: In this  project, we give python and C++ codes for the Ring Polymer Molecular  Dynamics (RMPD) to calculate the time correlation function(TCF) of  coordinate <q(0)q(t)>. Two kinds of thermostat
GitHub - ks838/Ring-Polymer-Molecular-Dynamics-in-Python-and-cpp: In this project, we give python and C++ codes for the Ring Polymer Molecular Dynamics (RMPD) to calculate the time correlation function(TCF) of coordinate <q(0)q(t)>. Two kinds of thermostat

Path integral molecular dynamics for bosons | PNAS
Path integral molecular dynamics for bosons | PNAS

PIMD
PIMD

GitHub - freitas-rodrigo/RPMDforLAMMPS: Ring-Polymer Molecular Dynamics  extension package for LAMMPS
GitHub - freitas-rodrigo/RPMDforLAMMPS: Ring-Polymer Molecular Dynamics extension package for LAMMPS

Nuclear quantum effects – Tuckerman Research Group
Nuclear quantum effects – Tuckerman Research Group

Architecture-Controlled Ring-Opening Polymerization for Dynamic Covalent  Poly(disulfide)s - Joint Center for Energy Storage Research
Architecture-Controlled Ring-Opening Polymerization for Dynamic Covalent Poly(disulfide)s - Joint Center for Energy Storage Research

Ring Polymer Molecular Dynamics in Gas–Surface Reactions: Inclusion of  Quantum Effects Made Simple | The Journal of Physical Chemistry Letters
Ring Polymer Molecular Dynamics in Gas–Surface Reactions: Inclusion of Quantum Effects Made Simple | The Journal of Physical Chemistry Letters

A ring polymer molecular dynamics study of the isotopologues of the H + H2  reaction - Physical Chemistry Chemical Physics (RSC Publishing)
A ring polymer molecular dynamics study of the isotopologues of the H + H2 reaction - Physical Chemistry Chemical Physics (RSC Publishing)

Intrinsic structure and dynamics of monolayer ring polymer melts - Soft  Matter (RSC Publishing)
Intrinsic structure and dynamics of monolayer ring polymer melts - Soft Matter (RSC Publishing)

PDF] Slowing down of ring polymer diffusion caused by inter-ring threading.  | Semantic Scholar
PDF] Slowing down of ring polymer diffusion caused by inter-ring threading. | Semantic Scholar

Cover Feature: Ring‐polymer Molecular Dynamics Simulation for the  Adsorption of H2 on Ice Clusters (H2O)n (n=8, 10, and 12) (ChemPhysChem  10/2023) - Murakami - 2023 - ChemPhysChem - Wiley Online Library
Cover Feature: Ring‐polymer Molecular Dynamics Simulation for the Adsorption of H2 on Ice Clusters (H2O)n (n=8, 10, and 12) (ChemPhysChem 10/2023) - Murakami - 2023 - ChemPhysChem - Wiley Online Library