Chemically directed structure evolution for crystal structure prediction

Sharp, PM; Dyer, MS; Darling, GR; Claridge, JB; Rosseinsky, MJ

Darling, GR (corresponding author), Univ Liverpool, Dept Chem, Crown St, Liverpool L69 7ZD, Merseyside, England.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020; 22 (32): 18205

Abstract

We present a new method of evolving crystal structures for crystal structure prediction. The method of chemically directed structure evolution uses ch......

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