Neural-network-backed evolutionary search for SrTiO3(110) surface reconstructions

Autor:	Ralf Wanzenböck, Marco Arrigoni, Sebastian Bichelmaier, Florian Buchner, Jesús Carrete, Georg K. H. Madsen
Rok vydání:	2022
Zdroj:	Digital Discovery. 1:703-710
ISSN:	2635-098X
Popis:	The covariance matrix adaptation evolution strategy (CMA-ES) and a fully automatically differentiable, transferable neural-network force field are combined to explore TiOx overlayer structures on SrTiO3(110) 3×1, 4×1 and 5×1 surfaces.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::7e3b8466bc950da85c068b4e65b2114f https://doi.org/10.1039/d2dd00072e Zobrazit plný text záznamu