We have developed a new tight-binding quantum chemical molecular dynamics code, 'New-Colors', based on tight-binding quantum chemical molecular dynamics code, 'Colors'. We demonstrated that New-Colors code was successfully accelerated by the comparison of computation time. This program is expected to be effective in performing large-scale quantum chemical molecular dynamics simulations.
|Number of pages||4|
|Publication status||Published - 2007|
|Event||14th International Display Workshops, IDW '07 - Sapporo, Japan|
Duration: 2007 Dec 5 → 2007 Dec 5
|Conference||14th International Display Workshops, IDW '07|
|Period||07/12/5 → 07/12/5|