United Kingdom Michele Parrinello Laboratory / J. Hutter Comp / Daresbury Laboratory / Matthias Krack Laboratory / /
Country
Switzerland / /
Currency
USD / /
Facility
American Institute of Physics Downloaded / Switzerland Ju¨rg Hutter Physical Chemistry Institute / University of Zurich Zurich Open Repository / American Institute of Physics / Matthias Krack Laboratory of Physical Chemistry / United Kingdom Michele Parrinello Laboratory of Physical Chemistry / University of Zurich / University of Cambridge / /
IndustryTerm
correlation energy / energy drift / kinetic energy density / aqueous systems / condensed aqueous systems / lowest total energy / tiny energy scales / energy difference / activation energy / simulation protocol / water systems / gas phase / larger systems / energy / black box tool / /
Organization
University of Zurich / American Institute of Physics / Switzerland Ju¨rg Hutter Physical Chemistry Institute / University of Cambridge / Joost VandeVondele Department of Chemistry / Switzerland Michiel Sprik Department of Chemistry / /
Person
F. A. Hamprecht / M. Sprik / A. D. Boese / A. J. Cohen / N. L. Doltsinis / J. P. Perdew / V / D. J. Tozer / N. C. Handy / /
Product
CH-8057 Zurich / CH-6904 Lugano / /
ProvinceOrState
North Carolina / /
PublishedMedium
THE JOURNAL OF CHEMICAL PHYSICS / Journal of Chemical Physics / /
SportsEvent
the Zurich Open / /
Technology
simulation protocol / velocity Verlet algorithm / computational chemistry / simulation / been integrated using a standard velocity Verlet algorithm / /
University of Zurich Zurich Open Repository and Archive Winterthurerstr. 190 CH-8057 Zurich http://www.zora.uzh.ch