Scientific Calendar Event



Description The materials modeling and simulations school in Togo, co-organized by the Université de Lomé and the ICTP Physics Without Frontiers, aims to introduce undergraduate and master’s level physics students to computational materials simulations. The school focuses on the theory and computational methods essential for predicting and understanding material properties through electronic structure calculations.

It will cover a range of basic and advanced topics, including quantum mechanics, solid-state physics, the wave function theory, density functional theory (DFT), and time-dependent (TD) DFT. The program consists of a series of lectures in the morning and hands-on sessions using the Quantum Espresso software in the afternoon, alongside a guest lecture on machine learning applied to materials science. The students will apply the knowledge acquired in the theory and practical lectures to projects, which will be presented on the last day of the school.

There will be a career session to discuss opportunities in physics as well as topics of interest such as networking and women in science.

The school will be held at the Department of Physics at Université de Lomé from August 5th to 9th, 2024.

Eligibility:
The school is open primarily to final year undergraduate and master's students in physics. The school will be conducted in French, so sufficient knowledge of French to follow the lectures is required.

Only registered students with full attendance of the lectures will receive the ICTP-PWF certificate at the end of the school.

For details, please see the registration form here.

Lecturers:
Mark E. Casida, Grenoble, France
Katawoura Beltako, Université de Lomé, Togo / University of Augsburg, Germany
Komi Sodoga, Université de Lomé, Togo

Organizers:
Project coordinator: Sylvia Mutisya, Subatech - IMT Atlantique, France.
Local coordinator:  Amou Komi Apélété, Université de Lomé, Togo.
Katawoura Beltako, Université de Lomé, Togo / University of Augsburg, Germany.
Komlan Segbéya Gadedjisso-Tossou, Université de Lomé, Togo.
Milohum Mikesokpo Dzagli, Université de Lomé, Togo.
Essodjolo Kpatcha, UAM-CSIC & IFT Madrid, Spain.
Go to day
  • Monday, 5 August 2024
    • 10:00 - 20:00 Day 1
      • 10:00 Opening remarks 30'
      • 10:30 Lecture 1: Basic quantum mechanic’s review 1h30'
      • 12:00 Coffee break 30'
      • 12:30 Lecture 2: Solving the molecular orbital (MO) equation 1h30'
      • 14:00 Lunch 2h0'
      • 16:00 Lecture 3: Bloch’s theorem and band theory 1h30'
      • 17:30 Coffee break 30'
      • 18:00 Hands-on session 2h0'
  • Tuesday, 6 August 2024
    • 10:00 - 20:00 Day 2
      • 10:00 Lecture 4: Many-electron wave function (WF) theory, configuration interaction (CI), second quantization 1h30'
      • 11:30 Coffee break 30'
      • 12:00 Lecture 5: Variational principle, variational calculus, Hartree-Fock 2h0'
      • 14:00 Lunch 2h0'
      • 16:00 Presentation of proposed projects 30'
      • 16:30 Hands-on session 1h30'
      • 18:00 Coffee break 30'
      • 18:30 Hands-on session 1h30'
  • Wednesday, 7 August 2024
    • 10:00 - 20:00 Day 3
      • 10:00 Lecture 6: Formal density-functional theory (DFT) 1h30'
      • 11:30 Coffee break 30'
      • 12:00 Lecture 7: Density functional approximations (DFAs) 2h0'
      • 14:00 Lunch 2h0'
      • 16:00 Creation of project groups 30'
      • 16:30 Hands-on session 1h30'
      • 18:00 Coffee break 30'
      • 18:30 Presentation/Discussion of Career Opportunities 1h30'
  • Thursday, 8 August 2024
    • 10:00 - 20:00 Day 4
      • 10:00 Lecture 8: Hard problems in DFT and partial solutions 1h30'
      • 11:30 Coffee break 30'
      • 12:00 Lecture 9: Formal time-dependent (TD) DFT and response theory 2h0'
      • 14:00 Lunch 2h0'
      • 16:00 Time to work on projects 2h0'
      • 18:00 Coffee break 30'
      • 18:30 Time to work on projects 1h30'
  • Friday, 9 August 2024
    • 10:00 - 20:00 Day 5
      • 10:00 Lecture 10: TD-DFT for excited states 1h30'
      • 11:30 Coffee break 30'
      • 12:00 Time to work on the projects 2h0'
      • 14:00 Lunch 2h0'
      • 16:00 Project presentations 2h0'
      • 18:00 Coffee break 30'
      • 18:30 Project presentations 1h0'
      • 19:30 Closing remarks & participation certificate presentations 30'