Ascalaph Quantum

Giới Thiệu · Ascalaph Quantum

Ascalaph Quantum is an Ascalaph interface program. Ascalaph is general purpose molecular modeling software that performs quantum mechanics calculations for initial molecular model development, molecular mechanics, and dynamics simulations in the gas or in condensed phase. It can interact with external molecular modeling packages (MDynaMix, NWChem, CP2K, PC GAMESS/Firefly and Delphi). Ascalaph Quantum provides interfaces to ab initio quantum mechanical packages NWChem, CP2K, and PC GAMESS/Firefly.