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ring polymer molecular dynamics

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

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)

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

Group website
Group website

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

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

Segregated structures of ring polymer melts near the surface: a molecular  dynamics simulation study - Soft Matter (RSC Publishing)
Segregated structures of ring polymer melts near the surface: a molecular dynamics simulation study - Soft Matter (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)
First-principles surface reaction rates by ring polymer molecular dynamics and neural network potential: role of anharmonicity and lattice motion - Chemical Science (RSC Publishing)

Ring-Polymer Molecular Dynamics and Kinetics for the H– + C2H2 → H2 + C2H–  Reaction Using the Full-Dimensional Potential Energy Surface | The Journal  of Physical Chemistry A
Ring-Polymer Molecular Dynamics and Kinetics for the H– + C2H2 → H2 + C2H– Reaction Using the Full-Dimensional Potential Energy Surface | The Journal of Physical Chemistry A

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

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

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

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 Surface Hopping: Incorporating Nuclear Quantum Effects into  Nonadiabatic Molecular Dynamics Simulations | The Journal of Physical  Chemistry Letters
Ring Polymer Surface Hopping: Incorporating Nuclear Quantum Effects into Nonadiabatic Molecular Dynamics Simulations | The Journal of Physical Chemistry Letters

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

Althorpe Group Cambridge
Althorpe Group Cambridge

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

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

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

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

Efficient compressed database of equilibrated configurations of ring-linear  polymer blends for MD simulations | Scientific Data
Efficient compressed database of equilibrated configurations of ring-linear polymer blends for MD simulations | Scientific Data

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

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

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 | 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

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)

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

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

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