Adaptive Green-Kubo estimates of transport coefficients from molecular dynamics based on robust error analysis

Journal of Chemical Physics

Volumn 136, Issue 15, 2012, Pages

  Jones, Reese E ^a   Mandadapu, Kranthi K ^a,b  

^a SANDIA NATIONAL LABORATORIES   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMSTERDAM; COMPUTATIONAL COSTS; DECAY TIME; ENRICO FERMI; GAUSSIAN PROCESSES; GREEN-KUBO; HEAT FLUX CORRELATIONS; ON-THE-FLY; STATISTICAL STATIONARITY; TEST CASE; THEORETICAL BOUNDS; TIME SAMPLES; TRANSPORT COEFFICIENT;

ALGORITHMS; DEBYE TEMPERATURE; ERROR ANALYSIS; ESTIMATION; GALLIUM NITRIDE; HEAT FLUX; MOLECULAR DYNAMICS;

THERMAL CONDUCTIVITY;

EID: 84860149495     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3700344     Document Type: Article

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