A C RAY XT5 SYSTEMS / P. A. Ab / Cray Incorporated / J. P. Morgan Chase / Oak Ridge National Laboratory / AMD / Amdahl / /
Country
United States / /
Currency
AMD / USD / /
Facility
Florida State University / ORNL’s National Center / /
IndustryTerm
atomistic nano-scale systems / free energy calculations / nanomagnetic systems / energy evaluation / energy level / free energy / energy range / magnetic data storage technologies / electron energy levels / exa-scale computer systems / local energy minima / atomistic transition metal system / atomic site / energy difference / dependent free energy barriers / free energy landscapes / individual frozen-potential energy calculations / magnetic systems / energy / indivdual processor / energy function / potential applications / energy landscape / atom systems / electrostatic energy / large energy barriers / dependent free energy barrier / internal energy / energy calculation / energy space / corrugated energy surfaces / magnetic data storage applications / free energy surface / energy calculations / nanoscopic lithium systems / temperaturedependent free energy barrier / nanoscale systems / transition metal alloys / larger and larger systems / recieve new energy / free-energy minima / /
Organization
U. S. DEPARTMENT OF ENERGY / Institute for Theoretical Physics / Department of Physics / Theoretical Physics and Swiss National Supercomputer Center / Center for Nanophase Materials Sciences / Florida State University / National Center for Computational Sciences / /
A scalable method for ab initio computation of free energies in nanoscale systems M. Eisenbach∗ , C.-G. Zhou† , D. M. Nicholson∗ , G. Brown‡ , J. Larkin§ , and T. C. Schulthess¶ ∗ Oak Ridge National Laborato