Atomic-scale modelling tools in QuantumATK range from density functional theory (DFT) simulations with either a linear combination of atomic orbitals (LCAO) or plane-wave basis sets to semi-empirical models and classical force fields. All simulation engines share a common infrastructure for analysis, molecular dynamics and parallel performance techniques.
For more information about this software and to find useful references, see the Synopsys QuantumATK product description.
|Software Version||Latest version|
|Operating System||LINUX and Windows; see more information|