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ring polymer molecular dynamics

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

Polymers | Free Full-Text | Designing the Slide-Ring Polymer Network with  both Good Mechanical and Damping Properties via Molecular Dynamics  Simulation
Polymers | Free Full-Text | Designing the Slide-Ring Polymer Network with both Good Mechanical and Damping Properties via Molecular Dynamics Simulation

A) Schematic description of the path integral (ring polymer) molecular... |  Download Scientific Diagram
A) Schematic description of the path integral (ring polymer) molecular... | Download Scientific Diagram

PIMD
PIMD

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)

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

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

Schematic representation of the time evolution of a 6 bead ring polymer...  | Download Scientific Diagram
Schematic representation of the time evolution of a 6 bead ring polymer... | Download Scientific Diagram

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

Variation of the ring polymer molecular dynamics, RPMD (k RPMD ) and... |  Download Scientific Diagram
Variation of the ring polymer molecular dynamics, RPMD (k RPMD ) and... | Download Scientific Diagram

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

Polymers | Free Full-Text | Slow Dynamics of Ring Polymer Melts by  Asymmetric Interaction of Threading Configuration: Monte Carlo Study of a  Dynamically Constrained Lattice Model
Polymers | Free Full-Text | Slow Dynamics of Ring Polymer Melts by Asymmetric Interaction of Threading Configuration: Monte Carlo Study of a Dynamically Constrained Lattice Model

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

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)

Path-integral approximations to quantum dynamics | The European Physical  Journal B
Path-integral approximations to quantum dynamics | The European Physical Journal B

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

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

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

Polymers | Free Full-Text | Designing the Slide-Ring Polymer Network with  both Good Mechanical and Damping Properties via Molecular Dynamics  Simulation
Polymers | Free Full-Text | Designing the Slide-Ring Polymer Network with both Good Mechanical and Damping Properties via Molecular Dynamics Simulation

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

Group website
Group website

Althorpe Group Cambridge
Althorpe Group Cambridge

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