Schedule: Difference between revisions
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*10:45AM-11:45AM: [https://wiki.physics.udel.edu/wiki_cmpb/images/c/c3/Dft_hand_on_h2o_relaxation.pdf Hands-on: H<sub>2</sub>O using VASP]. (Kang) | *10:45AM-11:45AM: [https://wiki.physics.udel.edu/wiki_cmpb/images/c/c3/Dft_hand_on_h2o_relaxation.pdf Hands-on: H<sub>2</sub>O using VASP]. (Kang) | ||
*11:45AM-1:00PM: Lunch. | *11:45AM-1:00PM: Lunch. | ||
*1:00PM-2:00PM: | *1:00PM-2:00PM: DFT for magnetic materials. (Kefayati) | ||
*2:00PM-2:15PM: Break. | *2:00PM-2:15PM: Break. | ||
*2:15PM-3:15PM: | *2:15PM-3:15PM: Introduction to DFT via OpenMX. (Kefayati) | ||
===Wednesday 08/21=== | ===Wednesday 08/21=== | ||
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*9:30AM-10:30AM: [https://wiki.physics.udel.edu/wiki_cmpb/images/9/9a/Dft_hand_on_graphene.pdf Hands-on: Graphene using VASP]. (Kang) | *9:30AM-10:30AM: [https://wiki.physics.udel.edu/wiki_cmpb/images/9/9a/Dft_hand_on_graphene.pdf Hands-on: Graphene using VASP]. (Kang) | ||
*10:30AM-10:45AM: Break. | *10:30AM-10:45AM: Break. | ||
*10:45AM-11:45AM: | *10:45AM-11:45AM: [https://wiki.physics.udel.edu/wiki_cmpb/images/6/6b/Dft_hand_on_nio.pdf Hands-on: NiO using VASP]. (Kang) | ||
*11:45AM-1:00PM: Lunch. | *11:45AM-1:00PM: Lunch. | ||
*1:00PM-2:00PM: | *1:00PM-2:00PM: Hands-on: Silicon using OpenMX. (Kefayati) | ||
*2:00PM-2:15PM: Break. | *2:00PM-2:15PM: Break. | ||
*2:15PM-3:15PM: | *2:15PM-3:15PM: Hands-on: NiO using OpenMX. (Kefayati) | ||
===Thursday 08/22=== | ===Thursday 08/22=== | ||
*9:00AM-9:30AM: Breakfast. | *9:00AM-9:30AM: Breakfast. | ||
*9:30AM-10:30AM: | *9:30AM-10:30AM: [https://wiki.physics.udel.edu/wiki_cmpb/images/8/89/Hands-On-Fe.pdf Hands-on: Fe using OpenMX]. (Kefayati) | ||
*10:30AM-10:45AM: Break. | *10:30AM-10:45AM: Break. | ||
*10:45AM-11:45AM: Hands-on: Magnons in Fe using OpenMX. (Kefayati) | *10:45AM-11:45AM: Hands-on: Magnons in Fe using OpenMX. (Kefayati) | ||
Revision as of 19:42, 18 August 2024
Bootcamp 2024
Monday 08/19
- 9:00AM-9:30AM: Breakfast.
- 9:30AM-9:45AM: Introductory remarks and logistics. (Nikolić)
- 9:45AM-10:30AM: Electronic structure via tight-binding methods: Example of graphene. (Nikolić)
- 10:30AM-10:45AM: Break.
- 10:45AM-11:45AM: Electronic structure via DFT methods: Example of graphene. (Nikolić)
- 11:45AM-1:00PM: Lunch.
- 1:00PM-2:00PM: Examples of DFT applications in physics and chemistry. (Kang)
- 2:00PM-2:15PM: Break.
- 2:15PM-3:15PM: Hands-on: Basic Linux commands, editors, job scheduling, file transfer, desktop or laptop settings, etc. (Kang)
Tuesday 08/20
- 9:00AM-9:30AM: Breakfast.
- 9:30AM-10:30AM: Introduction to DFT via VASP. (Kang)
- 10:30AM-10:45AM: Break.
- 10:45AM-11:45AM: Hands-on: H2O using VASP. (Kang)
- 11:45AM-1:00PM: Lunch.
- 1:00PM-2:00PM: DFT for magnetic materials. (Kefayati)
- 2:00PM-2:15PM: Break.
- 2:15PM-3:15PM: Introduction to DFT via OpenMX. (Kefayati)
Wednesday 08/21
- 9:00AM-9:30AM: Breakfast.
- 9:30AM-10:30AM: Hands-on: Graphene using VASP. (Kang)
- 10:30AM-10:45AM: Break.
- 10:45AM-11:45AM: Hands-on: NiO using VASP. (Kang)
- 11:45AM-1:00PM: Lunch.
- 1:00PM-2:00PM: Hands-on: Silicon using OpenMX. (Kefayati)
- 2:00PM-2:15PM: Break.
- 2:15PM-3:15PM: Hands-on: NiO using OpenMX. (Kefayati)
Thursday 08/22
- 9:00AM-9:30AM: Breakfast.
- 9:30AM-10:30AM: Hands-on: Fe using OpenMX. (Kefayati)
- 10:30AM-10:45AM: Break.
- 10:45AM-11:45AM: Hands-on: Magnons in Fe using OpenMX. (Kefayati)
- 11:45-1:00PM: Lunch.
- 1:00PM-2:00PM: Introduction to many-body perturbation theory (GW) combined with dynamical mean field theory (DMFT). (Kang)
- 2:00PM-2:15PM: Break.
- 2:15PM-3:15PM: Application of GW+DMFT to magnetic materials. (Kang)
Friday 08/23
- 9:00AM-9:30AM: Breakfast.
- 9:30AM-10:30AM: NiO revisited using LQSGW+DMFT. (Kang)
- 10:30AM-10:45AM: Break.
- 10:45AM-11:45AM: Introduction to DFT via QCHEM. (Li)
- 11:45AM-1:00PM: Lunch.
- 1:00PM-2:00PM: Hands-on: via QCHEM. (Li)
- 2:00PM-2:15PM: Break.
- 2:15PM-3:15PM: Hands-on: via QCHEM. (Li)
