2010 NWChem Workshop

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2010 NWChem Workshop

Agenda

Wednesday, December 1

9:00 a.m.
Basic introduction of computational chemistry
Huub van Dam, Marat Valiev
10:00 a.m.
Basic introduction of NWChem software
Bert de Jong, Huub van Dam
11:00 a.m.
Ground and excited states with DFT and TDDFT
Niri Govind
Noon
Lunch
1:00 p.m. - 5:00 p.m.
Hands-on tutorials

Thursday, December 2

8:30 a.m.
Correlated methods for ground and excited states
Karol Kowalski
9:30 a.m.
Ab initio molecular dynamics
Eric Bylaska
10:30 a.m.
Classical molecular dynamics and QM/MM
Tjerk Straatsma, Marat Valiev
11:30 a.m.
Lunch
1:00 p.m. - 5:00 p.m.
Hands-on tutorials