Chemically directed structure evolution for crystal structure prediction
2020 ◽
Vol 22
(32)
◽
pp. 18205-18218
◽
Keyword(s):
The chemically directed structure evolution method uses chemical models to quantify the environment of atoms and vacancy sites in a crystal structure with that information used to inform how to modify the structure for crystal structure prediction.
2018 ◽
Vol 140
(32)
◽
pp. 10158-10168
◽
2021 ◽
Vol 17
(4)
◽
pp. 2586-2598
2005 ◽
Vol 38
(6)
◽
pp. 861-866
◽
2006 ◽
Vol 62
(4)
◽
pp. 642-650
◽
2017 ◽
Vol 5
(42)
◽
pp. 22146-22155
◽