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Molcas Workshop in Wrocław on 22-25 July 2013

Theoretical Chemistry Group (PWr) and Wroclaw Centre for Networking and Supercomputing invite researchers and students to take part in a four-day workshop on the Molcas software, chaired by Dr. Francesco Aquilante from Uppsala University (Sweden). The workshop will take place on 22-25.07.2013 at the Wrocław University of Technolowy, Janiszewski Street 11/17, Wrocław, building C-3, room 125. The training is free of charge. Registration is open until 17 July. Submissions and any questions should be sent to: molcas.workshop @ wcss.pl.

Workshop program:

  • Ab initio single-reference wavefunction theory

  • Multiconfiguartional methods (selection of the active space)

  • Structure optimization (ground and excited electronic states)

  • Properties calculations& Bring your case

  • MOLCAS as a development platform & Cholesky decomposition

More details can be found in the workshop flyer (PDF).

It is also possible to participate in the workshop through the Internet with use of web browser. Please contact the organizers to get more details (molcas.workshop@wcss.pl).

AK, 2013-07-15