From 5-10 October, the triennial Congress of the World Association for Theoretical Chemists (WATOC) is held in Santiago de Chili. Visit Sergio at the SCM booth to learn about new and upcoming features in the ADF modeling suite.
There will also be presenations by ADF users and by developers Tom Ziegler on CV-DFT and Rosa Bulo on adaptive QM/MM.
|Multi-scale Modeling of Chemistry in Water
Key concepts: QM/MM, FlexMD, adaptive QM/MM, multi-scale
R. Bulo, C. Michel, P. Fleurat-Lessard, and P. Sautet, Multiscale Modeling of Chemistry in Water: Are We There Yet? J. Chem. Theor. Comput. 9, 5567-5577 (2013)