Q (software)
id:
q-software-283-618379
title:
Q (software)
text:
Q is a computer software package for molecular dynamics (MD) simulation. Unlike other MD codes, it has specialized since its conception on three specific types of free energy calculations. These calculations are based on the methods: empirical valence bond (EVB), free energy perturbation (FEP), and linear interaction energy (LIE), as well as, more recently, also path integral calculations using the bisection quantum classical path (BQCP) approach. The methods in which the program specializes can
brand slug:
wiki
category slug:
encyclopedia
description:
Molecular dynamics simulation software
original url:
https://en.wikipedia.org/wiki/Q_(software)
date created:
date modified:
2023-09-05T15:11:27Z
main entity:
{"identifier":"Q25345889","url":"https://www.wikidata.org/entity/Q25345889"}
image:
fields total:
13
integrity:
14