MaX lighthouse codes
MaX develops and maintains a diverse suite of open-source software known as the MaX lighthouse codes, designed for advanced computational materials science. These tools implement cutting-edge algorithms for Density Functional Theory (DFT) and Many-Body Perturbation Theory (MBPT), enabling accurate quantum mechanical simulations of materials. MaX lighthouse codes are interrelated, complementary, and continuously improved for performance and scalability. Currently, MaX team of experts is working to optimise and port these lighthouse codes to heterogeneous GPU-based architectures, ensuring they are ready for the exascale computing era.
A leading open-source software suite for quantum materials modeling, using the plane-wave pseudopotential method to enable advanced electronic-structure simulations and materials optimization for computational science research.
An open-source, first-principles materials simulation program based on density-functional theory (DFT), designed to efficiently model large systems and enable breakthroughs in electronic-structure research across multiple scientific disciplines.
An open-source FLAPW (full-potential linearised augmented-plane-wave) code, based on density-functional theory. Its highly precise all-electron approach is universally applicable to all atoms of the periodic table and to systems with compact as well as open structures.
A modern Density Functional Theory (DFT) software for ab-initio atomistic simulations of materials and biological systems. It supports periodic systems, surfaces, wires, and isolated molecules, and its linear-scaling methods enable simulations of very large systems with thousands of atoms.
An open-source code for ab-initio calculations of ground- and excited-state properties. It combines Many-Body Perturbation Theory (MBPT), Density Functional Theory (DFT), and Non-Equilibrium Green’s Function (NEGF) methods to compute a wide range of physical properties for materials research.