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MOLCAS Workshop
MOLCAS is a quantum chemistry package for first-principle structure calculations
on atomic and molecular systems. The philosophy behind MOLCAS is to provide
the user methods covering from very accurate ab initio treatments of general electronic
structure problems in small molecules in both ground and excited states
(with emphasis on multiconfigurational approaches),
to more versatile procedures (density-functional theory for instance)
applied to systems of large size.
The workshop is addressed to users and potential users of the MOLCAS suite, and it
is not intended as a course on electronic structure theory but a practical approach to
the use of the MOLCAS program. Some knowledge on quantum chemical methods is
desirable, but no previous experience with MOLCAS is required. The workshop will
consist of 25% lectures and 75% practical sessions. Researchers interested in using
MOLCAS as a platform to implement their own software are also welcome.
- 1st Molcas Workshop April 20-23, 2006, Valencia, Spain
- 2nd Molcas Workshop July 1-5, 2007, Villars, Switzerland
- 3rd Molcas workshop, April 14-18, 2008, Lund, Sweden
- 4-th Molcas workshop, June 9-13, Bojnice, Slovakia
- 5th Molcas workshop, May 4-8, Minneapolis, USA
- 6th Molcas workshop, Aug 9-13, Sao Paulo, Brazil
Lecture Notes
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