Year: 1999
Type: article
Abstract: We describe a new, biased Monte Carlo scheme to determine the crystal structures of zeolites from powder diffraction data. We test the method on all publicly known zeolite materials, with success in all cases. We show that the method of parallel tempering is a powerful supplement to the biased Monte Carlo.
Source: The Journal of Chemical Physics
DOI: 10.1063/1.477812
Authors: Marco Falcioni, Michael W. Deem
Institution: University of California, Los Angeles
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2168303626