A scalable method for ab initio computation of free energies in nanoscale systems

Proceedings of the Conference on High Performance Computing Networking, Storage and Analysis, SC '09

Volumn , Issue , 2009, Pages

  Eisenbach, M ^a   Zhou, C G ^b   Nicholson, D M ^a   Brown, G ^c   Larkin, J ^d   Schulthess, T C ^e  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b JP Morgan Chase & Co   (United States)

^c FLORIDA STATE UNIVERSITY   (United States)

^d Cray Incorporated   (United States)

^e ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO COMPUTATIONS; DOUBLE PRECISION; LENGTH SCALE; NANO-SCALE SYSTEM; NANOMAGNETIC SYSTEMS; SCALABLE METHODS; STATISTICAL FLUCTUATIONS;

ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; FREE ENERGY; SCALABILITY; THERMODYNAMICS;

NANOSTRUCTURED MATERIALS;

EID: 74049159972     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1145/1654059.1654125     Document Type: Conference Paper

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