A universal preconditioner for simulating condensed phase materials.

Autor:	Packwood, David, Kermode, James, Mones, Letif, Bernstein, Noam, Woolley, John, Gould, Nicholas, Ortner, Christoph, Csányi, Gábor
Předmět:	CONDENSED matter COMPUTER simulation POTENTIAL energy surfaces GLOBAL optimization ELECTRONIC structure DENSITY functional theory
Zdroj:	Journal of Chemical Physics; 2016, Vol. 144 Issue 16, p1-8, 8p, 8 Graphs
Databáze:	Complementary Index
Externí odkaz:	Zobrazit plný text záznamu