Stochastic and Deterministic Crystal Structure Solution Methods in GSAS-II: Monte Carlo/Simulated Annealing Versus Charge Flipping

Stochastic and Deterministic Crystal Structure Solution Methods in GSAS-II: Monte Carlo/Simulated Annealing Versus Charge Flipping

Crystallographic studies frequently involve the determination of a previously unknown crystal structure; General Structure Analysis System (GSAS)-II provides two methods for this purpose. The Monte Carlo/simulated annealing method is fundamentally stochastic in nature; random trials are tested for s...

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Bibliographic Details
Main Author: Robert Von Dreele
Format: Article
Language:English
Published: MDPI AG 2017-08-01
Series:Crystals
Subjects:
structure solution
charge flipping
Monte Carlo/simulated annealing
chaos mathematics
GSAS-II
Online Access:https://www.mdpi.com/2073-4352/7/9/264

Internet

https://www.mdpi.com/2073-4352/7/9/264

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