Tags :QuantumATK

QuantumATK X-2025.06: Feature Overview QuantumATK X-2025.06 is a leading platform for atomic-scale modeling, integrating density functional theory (DFT), semi-empirical tight binding, classical force fields, and machine-learned force fields (ML-FFs). It accelerates research and development in semiconductors, materials science, and nanotechnology by enabling large-scale, realistic simulations with enhanced performance. Key Features of QuantumATK X-2025.06 Advanced Simulation Engines: Supports DFT with linear combination of atomic orbitals (LCAO) and plane-wave basis sets, semi-empirical models, and classical potentials for versatile material simulations. Non-Equilibrium Green’s Function (NEGF) module for simulating nanoscale devices and interfaces, including support for non-zero bias, electrostatic gates, and dielectrics. Enables modeling of complex systems like high-k metal gate stacks and 2D material-based field-effect transistors (FETs). Performance Improvements: Achieves 10x+ speedup in...

QuantumATK atomic-scale modeling software enables large-scale and thus more realistic material simulations, integrating multiple simulation methods, ranging from ab initio DFT to semi-empirical and classical force fields analysis, into an easy-to-use platform. QuantumATK accelerates semiconductor and materials R&D, and reduces time and costs by enabling more efficient workflows in the screening process of new materials across a broad range of high-tech industries. Accelerate development of new materials and obtain deep understanding of mechanisms and structure-property relationships using QuantumATK materials modeling software. Compute both basic and more advanced material properties, including electronic, structural, optical, thermal, magnetic and mechanical properties, as well as electronic and thermal transport, electron-phonon coupling, piezoelectricity and more characteristics QuantumATK is fully supported and delivered in an easy-to-use...