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ring polymer molecular dynamics

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

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

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

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

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

RPMD Introduction | Green Research Group
RPMD Introduction | 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

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

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

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

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)

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

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

Althorpe Group Cambridge
Althorpe Group Cambridge

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

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 simulation - YouTube
Ring Polymer Molecular Dynamics simulation - YouTube

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

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

RPMDrate | Green Research Group
RPMDrate | Green Research Group

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

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 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