Description
Directors:
N. CHETTY, University of Pretoria, South Africa
R. MARTIN, Stanford University, U.S.A.
S. NARASIMHAN, JNCASR Bangalore, India
S. SCANDOLO, ICTP, Trieste, Italy
N. SERIANI, ICTP, Trieste, Italy

Local Organizer:
T. YOHANNES, AASTU, Addis Ababa, Ethiopia

ICTP contacts:
S. SCANDOLO, ICTP, Trieste, Italy
N. SERIANI, ICTP, Trieste, Italy

The Schools provide an introdution to the theory of electronic structure and other atomistic simulation methods, with an emphasis on the computational methods for practical calculations.
 
The African School series on Electronic Structure Methods and Applications is planned on a biennial basis from 2010 to 2020.  Previous schools were held in Cape Town, South Africa (2010), Eldoret, Kenya (2012), Johannesburg, South Africa (2015) and Accra, Ghana (2016).

The School will also cover basic and advanced topics and applications of these methods to the structural, mechanical and optical properties of materials.

The School will include hands-on tutorial sessions based on public license codes (including, but not limited to, the Quantum Espresso package).
 
During the second week, students will be asked to split up in teams and work on specific projects under the guidance of the lecturers and mentors.

Please note that funds from the Joint Undertaking for an African Materials Institute (JUAMI) are also available for US students.

Invited Speakers:
  • O. AKIN-OJO, ICTP-EAIFR, Rwanda
  • G. AMOLO, TU Kenya, Nairobi
  • M. CASIDA, Universite' Grenoble Alpes, Saint-Martin-d'Heres, France
  • M. GATTI, ETSF, LSI - CNRS, Palaiseau, France
  • G. GEBREYESUS, University of Ghana
  • E. LUIJTEN, Northwestern McCormick Sch. of Eng., Evanston, U.S.A.
  • D. MAGERO, University of Eldoret, Kenya
  • A. MARINI, ISM, Rome, Italy
  • R. MAEZONO, JAIS, Ishikawa, Japan
  • S. NARASIMHAN, JNCASR Bangalore, India
  • Y. SHAIDU, SISSA, Trieste, Italy
Go to day
  • Monday, 22 October 2018
    • 08:30 - 20:00
      • 08:30 Registration 30'
      • 09:00 Welcome 30'
        Speaker: H.E. Dr. Eng. Getahun Mekuria; ANSHEBO, Teketel Yohannes; SERIANI, Nicola (Minister, Ministry of Innovation and Technology of the Federal Government of Ethiopia; Addis Ababa University, Ethiopia; ICTP, Italy)
      • 09:30 Introduction 45'
        Speaker: ANSHEBO, Teketel Yohannes (Addis Ababa University, Ethiopia)
      • 10:15 Break 30'
      • 10:45 Crystals, Bloch Th. 50'
        Speaker: NARASIMHAN, Shobhana (Jawaharlal Nehru Centre for Advanced Scientific Research, India)
      • 11:35 Bands, questions 50'
        Speaker: SHAIDU, Yusuf (the International School for Advanced Studies, Italy)
      • 12:30 Lunch 1h30'
      • 14:00 Computer Lab Linux, Xmgrace, Xcrysden, etc. 3h30'
        Speaker: THOELE, Florian & mentors/tutors (ETH Zurich, Switzerland)
      • 19:00 Evening session (time TBA): Materials science research in Africa 1h0'
        Speaker: AMOLO, George O. (University of Kenya, Kenya)
  • Tuesday, 23 October 2018
    • 08:30 - 20:00
      • 08:30 Theory of DFT 50'
        Speaker: MARTIN, Richard (Stanford, USA)
      • 09:20 Kohn-Sham approach xc functionals 50'
        Speaker: AMOLO, George O. (University of Kenya, Kenya)
      • 10:15 Break 30'
      • 10:45 Band structure 50'
        Speaker: NARASIMHAN, Shobhana (Jawaharlal Nehru Centre for Advanced Scientific Research, India)
      • 11:35 Through KS Eqs 50'
        Speaker: SHAIDU, Yusuf (the International School for Advanced Studies, Italy)
      • 12:30 Lunch 1h30'
      • 14:00 Computer Lab Intro to QE - Total energy, k-pts, cutoff 3h30'
        Speaker: MAMMEN, Nisha & mentors/tutors (University of Jyvaskyla, Finland)
      • 19:00 Evening session (time TBA): How to give a scientific talk 1h0'
        Speaker: GRIFFIN, Sinead (Lawrence Berkeley National Laboratory, U.S.A.)
  • Wednesday, 24 October 2018
    • 08:30 - 20:00
      • 08:30 DFT in practice k-points, smearing 1h45'
        Speaker: AKIN-OJO, Omololu (University of Rwanda ICTP East African Institute for Fundamental Research, Rwanda)
      • 10:15 Break 30'
      • 10:45 Pseudopotentials, forces, relaxation 1h45'
        Speaker: TBA
      • 12:30 Lunch 1h30'
      • 14:00 Computer Lab Band structure metals/insulators 3h30'
        Speaker: GRIFFIN, Sinead & mentors/tutors (Lawrence Berkeley National Laboratory, U.S.A.)
      • 19:00 Evening session (time TBA): How to write a scientific paper 1h0'
        Speaker: NARASIMHAN, Shobhana (Jawaharlal Nehru Centre for Advanced Scientific Research, India)
  • Thursday, 25 October 2018
    • 08:30 - 20:00
      • 08:30 Advanced Functionals, DFT + U, etc. 1h45'
        Speaker: SERIANI, Nicola (ICTP, Trieste)
      • 10:15 Break 30'
      • 10:45 Atomic vibrations, Phonons 1h45'
        Speaker: TBA
      • 12:30 Lunch 1h30'
      • 14:00 Computer Lab Phonons in quantum Espresso 3h30'
        Speaker: TBA
      • 19:00 Evening session (time TBA): Women in Science 1h0'
  • Friday, 26 October 2018
    • 08:30 - 20:00
      • 08:30 Excitations, Start TDDFT 1h45'
        Speaker: CASIDA, Mark E. (Kwame Nkrumah University of Science and Technology, Ghana)
      • 10:15 Break 30'
      • 10:45 Excitations, Many-body theory 1h45'
        Speaker: GATTI, Matteo (Ecole Polytechnique, France)
      • 12:30 Lunch 1h30'
      • 14:00 Computer Lab Metals 2h0'
      • 16:00 Discussion of projects 1h30'
      • 19:00 Evening session (time TBA) 1h0'
  • Monday, 29 October 2018
    • 08:30 - 20:00
      • 08:30 Molecular dynamics 1h45'
        Speaker: LUIJTEN, Erik (University Northwestern, U.S.A.)
      • 10:15 Break 30'
      • 10:45 MD Continued 1h45'
        Speaker: LUIJTEN, Erik (University Northwestern, U.S.A.)
      • 12:30 Lunch 1h30'
      • 14:00 MD Tutorial 3h30'
        Speaker: LUIJTEN, Erik (University Northwestern, U.S.A.)
      • 19:00 Evening session (time TBA): Introduction to biological physics 1h0'
        Speaker: MAMMINO, Liliana (University of Venda, South Africa)
  • Tuesday, 30 October 2018
    • 08:30 - 20:00
      • 08:30 Short talk TBA & Projects 1h45'
      • 10:15 Break 30'
      • 10:45 Projects 1h45'
      • 12:30 Lunch 1h30'
      • 14:00 Short talk TBA & Projects 3h30'
      • 19:00 Evening session (time TBA): Establishing a research programme in Africa: the EAIFR 1h0'
        Speaker: AKIN-OJO, Omololu (University of Rwanda ICTP East African Institute for Fundamental Research, Rwanda)
  • Wednesday, 31 October 2018
    • 08:30 - 20:00
      • 08:30 Short talk TBA & Projects 1h45'
      • 10:15 Break 30'
      • 10:45 Projects 1h45'
      • 12:30 Lunch 1h30'
      • 14:00 Short talk TBA & Projects 3h30'
      • 19:00 Evening session (time TBA): Discussion 1h0'
  • Thursday, 1 November 2018
    • 08:30 - 20:00
      • 08:30 Short talk TBA & Projects 1h45'
      • 10:15 Break 30'
      • 10:45 Projects 1h45'
      • 12:30 Lunch 1h30'
      • 14:00 Short talk TBA & Projects 3h30'
      • 19:00 Evening session (time TBA): Awards 1h0'
  • Friday, 2 November 2018
    • 08:30 - 20:00
      • 08:30 Short talk TBA & Projects 1h45'
      • 10:15 Break 30'
      • 10:45 Projects 1h45'
      • 12:30 Lunch 1h30'
      • 14:00 Project reports - Closing session 3h30'
      • 19:00 Evening session (time TBA): Discussion 1h0'