2010 NWChem Workshop

Agenda

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

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