Schedule: Difference between revisions

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*9:00AM-9:30AM: Breakfast.
*9:00AM-9:30AM: Breakfast.
*9:30AM-10:30AM: [https://wiki.physics.udel.edu/wiki_cmpb/images/0/06/Dft_applications.pdf Examples of DFT applications in physics and chemistry]. (Kang)
*9:30AM-10:30AM: [https://wiki.physics.udel.edu/wiki_cmpb/images/0/06/Dft_applications.pdf Examples of DFT applications in physics and chemistry]. (Kang)
*10:30AM-10:45AM: Break.
*10:45AM-11:45AM: [https://www.vasp.at/wiki/images/5/5d/VASP_lecture_Basics.pdf Introduction to DFT via VASP]. (Kang)  
*10:45AM-11:45AM: [https://www.vasp.at/wiki/images/5/5d/VASP_lecture_Basics.pdf Introduction to DFT via VASP]. (Kang)  
*11:45AM-1:00PM: Lunch.  
*11:45AM-1:00PM: Lunch.  

Revision as of 11:58, 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

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

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)