QuantumATK is fully supported and delivered in an easy-to-use interface, tailored from state-of-the-art methods, and developed by experts to the specifications of our customers. Atomic-scale modeling tools in QuantumATK range from density functional theory (DFT) simulations with either 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.
Our industry-leading atomistic simulation platform empowers the design of novel materials with best properties for new or current products and systems. Reduce R&D time and cost by replacing or guiding experiments and facilitating path finding for solving current industrial problems and developing next-generation products.