A universal preconditioner for simulating condensed phase materials

Journal of Chemical Physics

Volumn 144, Issue 16, 2016, Pages

  Packwood, David ^a   Kermode, James ^a   Mones, Letif ^a,b   Bernstein, Noam ^c   Woolley, John ^a   Gould, Nicholas ^d   Ortner, Christoph ^a   Csányi, Gábor ^b  

^a UNIVERSITY OF WARWICK   (United Kingdom)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^c NAVAL RESEARCH LABORATORY   (United States)

^d RUTHERFORD APPLETON LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; COMPUTATIONAL EFFICIENCY; ELECTRONIC STRUCTURE;

ATOMIC SIMULATIONS; ATOMIC-SCALE SIMULATIONS; CONDENSED PHASE; EMPIRICAL POTENTIALS; MOLECULAR SOLID; OPTIMISATIONS; PRECONDITIONERS; SIMPLE STRUCTURES;

COMPUTER SOFTWARE;

EID: 84966309044     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4947024     Document Type: Article

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