Bayesian ensemble approach to error estimation of interatomic potentials

Physical Review Letters

Volumn 93, Issue 16, 2004, Pages

  Frederiksen, Søren L ^a   Jacobsen, Karsten W ^a   Brown, Kevin S ^b   Sethna, James P ^b  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b Laboratory of Atomic and Solid State Physics and Sibley School of Mechanical and Aerospace Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BARS (METAL); CRYSTALLINE MATERIALS; DATA ACQUISITION; ERROR CORRECTION; MATHEMATICAL MODELS; OPTIMIZATION; PARAMETER ESTIMATION; PROBABILITY; PROBABILITY DENSITY FUNCTION; THERMODYNAMIC PROPERTIES;

ATOMIC FORCES; INTERATOMIC POTENTIALS; MODIFIED EFFECTIVE MEDIUM THEORY (MEMT); RESIDUAL ERRORS;

MOLECULAR DYNAMICS;

EID: 19644400912     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.93.165501     Document Type: Article

References (19)

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