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#1 2017-10-10 16:03:33

From: Uppsala
Registered: 2015-11-03
Posts: 878

The 8th Molcas user's workshop (20-24 November 2017)

This 5-day workshop is a hands-on training with the quantum chemistry software package MOLCAS. The basic philosophy behind MOLCAS is the multi-configurational treatment applied to medium sized molecules in both ground and excited states. The workshop is aimed at new to medium advanced users.

Topics: MOLCAS 101, Multi-configurational approaches, Optimizations, Molecular dynamics, Magnetic properties, X-ray spectroscopy, QM/MM and embedding techniques.

Teachers: F. Aquilante, I. Fdez. Galván, S. Knecht, E. Källman, G. Li Manni, I. Navizet, R. Lindh, M. Lundberg, M. Reiher, I. Schapiro, M. Vacher, T. B. Pedersen, and L. Ungur.

Venue: The Ångström Laboratory, Uppsala University, Uppsala, Sweden

Web site:


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