Schedule: Difference between revisions
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*10:45AM-11:45AM: Electronic structure via DFT methods: Example of graphene. (Nikolić) | *10:45AM-11:45AM: Electronic structure via DFT methods: Example of graphene. (Nikolić) | ||
*11:45AM-1:00PM: Lunch. | *11:45AM-1:00PM: Lunch. | ||
*1:00PM-2:00PM: [[Media:Hands- | *1:00PM-2:00PM: [[Media:Hands-On.pdf|Introduction to DFT via OpenMX]]. (Kefayati) | ||
*2:00PM-2:15PM: Break. | *2:00PM-2:15PM: Break. | ||
*2:15PM-3:15PM: [https://wiki.physics.udel.edu/wiki_cmpb/images/6/67/LinuxIntro_2024.pdf Hands-on: Basic Linux commands, editors, job scheduling, file transfer, desktop or laptop settings, etc]. (Kang) | *2:15PM-3:15PM: [https://wiki.physics.udel.edu/wiki_cmpb/images/6/67/LinuxIntro_2024.pdf Hands-on: Basic Linux commands, editors, job scheduling, file transfer, desktop or laptop settings, etc]. (Kang) | ||
Revision as of 12:01, 19 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: Orbitals, chemical bonds, bands ("spaghetti lines"), high symmetry directions and all that explained on 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: Introduction to DFT via OpenMX. (Kefayati)
- 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: Examples of DFT applications in physics and chemistry. (Kang)
- 10:30AM-10:45AM: Break.
- 10:45AM-11:45AM: Introduction to DFT via VASP. (Kang)
- 11:45AM-1:00PM: Lunch.
- 1:00PM-2:00PM: Hands-on: H2O using VASP. (Kang)
- 2:00PM-2:15PM: Break.
- 2:15PM-3:15PM:DFT for magnetic materials. (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)
