John Wiley & Sons Ltd. / Atomistic Simulations CO / /
Country
United Kingdom / /
Event
Product Issues / /
Facility
University of Bath / University College London / /
IndustryTerm
simulation tools / chemical systems / performance computing / manyelectron systems / Energy minimization / chemical system / energy surfaces / higher energy virtual orbitals / minimization algorithms / chemical potential / energy materials / online databases / energy landscapes / high potential energy barrier / software packages / quantum chemical approaches / lowest energy / higher energy configurations / shell systems / energy / periodic systems / correlation energy / kinetic and potential energy operators / quantum chemical methods / energy landscape / kinetic energy / minimum energy pathways / important applications / liquid systems / short-range energy / https /
MusicGroup
CONQUEST / /
OperatingSystem
Fermi / /
Organization
University College London / London / University of Bath / Bath / A. Sokol1 / and Aron Walsh2 Department of Chemistry / Department of Chemistry / /
Person
Aron Walsh / Alexey A. Sokol / C. Richard A. Catlow / CRYSTAL DFTB / /
Microsoft Word - Ch1_Catlow_Edited.doc