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ring polymer molecular dynamics

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)

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

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)

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

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

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

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

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

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

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

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

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)

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

Group website
Group website

Ring‐polymer Molecular Dynamics Simulation for the Adsorption of H2 on Ice  Clusters (H2O)n (n=8, 10, and 12) - Murakami - 2023 - ChemPhysChem - Wiley  Online Library
Ring‐polymer Molecular Dynamics Simulation for the Adsorption of H2 on Ice Clusters (H2O)n (n=8, 10, and 12) - 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 formulation page on SklogWiki - a wiki for statistical  mechanics and thermodynamics
Path integral formulation page on SklogWiki - a wiki for statistical mechanics and thermodynamics

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

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

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

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

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

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