Large-Scale spin-orbit coupled GW-Bethe-Salpeter equation calculations in AMS

Projects & Collaborations

Periodic DFT

Copyright

ADF2010 released

Benchmark: density functionals and settings for band gaps

COSMO-RS: Fast sigma profile estimations and new UNIFAC implementation

Prof. Dr. Evert Jan Baerends

Dr. Stan van Gisbergen

Mrs. Sorana Burcusel