QuantumATK: A New Generation Platform for Materials and Devices Simulation
A universal solution for atomic-level modeling and simulation of materials and devices
Multiple computational methods, fast and reliable code
Density functional theory can directly calculate systems with thousands of atoms, and it supports both plane-wave and atomic orbital basis sets, as well as norm-conserving pseudopotentials and PAW potentials. Semi-empirical and empirical parameter methods can quickly calculate even larger systems. The fully automatic machine learning force field framework directly combines first-principles and force field molecular dynamics calculations and supports active learning. Advanced graphical interface and complete development platform.
The graphical interface environment directly completes the entire simulation process including modeling, calculation, analysis, and plotting.
The Python development platform and rich scientific computing and plotting frameworks support custom extension functions.
World-leading device electronic transport simulation.
Simulate the electrical transport, thermal transport, inelastic current, and photocurrent of heterostructures, transistors, and other devices at the atomic level, directly obtaining I-V characteristics, transfer characteristics, and key properties of the devices. Rich and complete material models and property calculation tools.
Rich model support for the simulation of crystals, molecules, alloys, semiconductors, polymers, amorphous materials, and interfaces
A wide range of physical properties such as electronic, structural, phononic, thermal, optical, mechanical, and chemical properties of various material structures.
