Modeling of atomic-molecular structures by contiguous filling of space with Frank-Kasper atomic domains.

Autor: Havrysh OH; NanoComb Ltd, Artema Str, 10, Kyiv, 04053, Ukraine. Electronic address: havrysh@nanocomb.org., Kholodovych V; Office of Advanced Research Computing, Rutgers University, Piscataway, NJ, USA. Electronic address: kholodvl@rutgers.edu., Andreev EA; Institute of Physics of NAS of Ukraine, Prospect Nauky, 46, Kyiv, 03028, Ukraine. Electronic address: eva@iop.kiev.ua.

Publikováno v: Journal of molecular graphics & modelling [J Mol Graph Model] 2019 Jul; Vol. 90, pp. 9-17. Date of Electronic Publication: 2019 Mar 18.