Density functional theory
8 upcoming events
Green's function methods: the next generation 7
Workshop on advanced Green's function methods in many-body physics, including GW, vertex corrections, and beyond-GW approaches for electronic structure and excitations.
Vienna Ab-initio Simulation Package 2026
International online meeting on the Vienna Ab‑initio Simulation Package (VASP) 2026, featuring expert talks on electronic‑structure methods, DFT, and high‑performance computing, scheduled for 4‑5 November 2026, organized by the HPC Chair at University of Évora and EuroCC3.
IQCE Quantum Chemistry Exploration Symposium 2026
The IQCE Quantum Chemistry Exploration Symposium 2026 is a free-to-attend lecture meeting on quantum chemistry, organized by the Institute for Quantum Chemical Exploration and held at the University of Tokyo on November 9, 2026.
The 16th National Conference on Theoretical and Computational Chemistry of the Chinese Chemical Society
The 16th National Conference on Theoretical and Computational Chemistry of the Chinese Chemical Society will be held in Shenzhen from Dec 26-28, 2026. Featuring 16 topics like wavefunction theory, DFT, photochemistry, catalysis, and machine learning, it offers a platform for…
International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods
The long-running Total Energy and Force Methods meeting, held at ICTP in Trieste in odd years since 1987. Three days on first-principles methods for the electronic structure of molecules and materials.
All electron DFT with Fleur - a Hands-on Tutorial
A week of hands-on training on FLEUR, an all-electron full-potential LAPW code, with its developers present. Run at Forschungszentrum Jülich and streamed online at the same time.
Challenges in ionic fluids: Theory, simulation, and experiment
Workshop on ionic fluids, uniting theory, simulation, and experiment to tackle multiscale challenges. Topics include ML potentials, classical DFT, and advanced spectroscopic techniques.
Current Topics in Theoretical Chemistry 2027
Workshop on current topics in theoretical chemistry, focusing on density functional theories and dynamics simulations, including nonadiabatic nuclear-electronic dynamics and machine learning for catalysis.