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ring polymer molecular dynamics

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

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

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)

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

RPMDrate | Green Research Group
RPMDrate | Green Research Group

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

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)

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

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

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

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

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

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

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

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

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

Althorpe Group Cambridge
Althorpe Group Cambridge

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

PIMD
PIMD

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

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

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

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

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