Car–Parrinello molecular dynamics
id:
car-parrinello-molecular-dynamics-263-15969376
title:
Car–Parrinello molecular dynamics
text:
Car–Parrinello molecular dynamics or CPMD refers to either a method used in molecular dynamics or the computational chemistry software package used to implement this method. The CPMD method is one of the major methods for calculating ab-initio molecular dynamics. Ab initio molecular dynamics is a computational method that uses first principles, or fundamental laws of nature, to simulate the motion of atoms in a system. It is a type of molecular dynamics (MD) simulation that does not rely on empi
brand slug:
wiki
category slug:
encyclopedia
description:
Computational chemistry software package
original url:
https://en.wikipedia.org/wiki/Car%E2%80%93Parrinello_molecular_dynamics
date created:
date modified:
2024-02-02T12:16:16Z
main entity:
{"identifier":"Q4300351","url":"https://www.wikidata.org/entity/Q4300351"}
image:
fields total:
13
integrity:
14