Crystal structure prediction
id:
crystal-structure-prediction-311-2425674
title:
Crystal structure prediction
text:
Crystal structure prediction (CSP) is the calculation of the crystal structures of solids from first principles. Reliable methods of predicting the crystal structure of a compound, based only on its composition, has been a goal of the physical sciences since the 1950s. Computational methods employed include simulated annealing, evolutionary algorithms, distributed multipole analysis, random sampling, basin-hopping, data mining, density functional theory and molecular mechanics.
brand slug:
wiki
category slug:
encyclopedia
description:
original url:
https://en.wikipedia.org/wiki/Crystal_structure_prediction
date created:
date modified:
2024-01-13T00:00:55Z
main entity:
{"identifier":"Q5191417","url":"https://www.wikidata.org/entity/Q5191417"}
image:
fields total:
13
integrity:
13