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CIDER/KITP Tutorial: VLab Computational Mineral Physics (July 28 - August 1, 2008)
In partnership with VLab and CIDER
Coordinators: Renata Wentzcovitch and Stefano de Gironcoli

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Time Speaker Title
Monday, July 28, 2008
7:00 am Carrillo Dining Commons Breakfast
8:30 am Wentzcovitch Introduction
8:45 am Dahlke Fundamentals of density functional theory; Hartree-Fock theory[Podcast][Aud][Cam]
10:30 am Break
10:45 am Dahlke Exchange correlation functionals [Podcast][Aud][Cam]
12:00 pm Carrillo Dining Commons Lunch
1:15 pm de Gironcoli Van der Waals interaction [Podcast][Aud][Cam]
2:15 pm Wentzcovitch Plane-wave pseudopotential calculations [Podcast][Aud][Cam]
3:00 pm Break
3:30 pm Cococcioni LSDA and LSDA+U [Podcast][Aud][Cam]
5:00 pm Carrillo Dining Commons Dinner
Tuesday, July 29, 2008
7:00 am Carrillo Dining Commons Breakfast
8:30 am Kokalj and de Gironcoli PWScF installation and hands-on examples [Podcast][Aud][Cam]
10:30 am Break
10:45 am Kokalj Post-processing, pwgui, xcrysden ... [Podcast][Aud][Cam]
12:00 pm Carrillo Dining Commons Lunch
1:15 pm Cococcioni and Kokalj PWScf examples including LDA+U [Podcast][Aud][Cam]
3:00 pm Break
3:30 pm Cococcioni and Kokalj PWScf examples including LDA+U [Podcast][Aud][Cam]
5:15 pm Carrillo Dining Commons Dinner
7:00 pm Discussion with tutorial instructors
Wednesday, July 30, 2008
7:15 am Carrillo Dining Commons Breakfast
8:30 am de Gironcoli and Kokalj Density functional perturbation theory and phonons; Phonon hands-on examples[Podcast][Aud][Cam]
10:30 am Break
10:45 am de Gironcoli and Kokalj Phonon hands-on examples [Podcast][Aud][Cam]
12:00 pm Carrillo Dining Commons Lunch
1:15 pm Wentzcovitch Quasiharmonic approximation; Influence of exchange Correlation functional on structural properties and phase boundaries [Podcast][Aud][Cam]
2:15 pm Break
2:45 pm de Gironcoli and Kokalj More phonon hands-on examples [Podcast][Aud][Cam]
5:15 pm Carrillo Dining Commons Dinner
7:00 pm Discussion with tutorial instructors
Thursday, July 31, 2008
7:15 am Carrillo Dining Commons Breakfast
8:30 am da Silva Vlab cyberinfrastructure [Podcast][Aud][Cam]
9:30 am da Silva, da Silveira, Wentzcovitch VLab demo [Podcast][Aud][Cam]
10:00 am Break
10:30 am da Silva and da Silveira Vlab hands-on practice [Podcast][Aud][Cam]
12:00 pm Ortega Dining Commons Lunch
1:15 pm Karki, Winkler, and Kokalj Research presentations and discussion by tutorial participants: [Podcast][Aud][Cam]
3:00 pm Break
3:30 pm Practice with Vlab
5:15 pm Carrillo Dining Commons Dinner
7:00 pm Discussion with tutorial instructors
Friday, August 1, 2008
7:15 am Carrillo Dining Commons Breakfast
3:15 pm Umemoto, Wu Research presentations [Slides][Podcast][Aud][Cam]
10:00 am Break
10:30 am da Silva and da Silveira Vlab hands-on practice [Podcast][Aud][Cam]
12:00 am Carrillo Dining Commons Lunch
5:00 pm Carrillo Dining Commons Dinner
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