Call for papers

5th-6th March 2020

Venue: The Catholic University of Eastern Africa

Introduction, objective and topics:

The two-day intense workshop will deal with the basics and recent advances of electronic-structure theory, especially density-functional theory. The application of computational methods cuts across various disciplines from biophysics, chemistry to materials science and are a driving force for the discovery and design of molecules and novel materials. This workshop will cover basic topics, from the choice of a functional or a basis set to ways of accounting for relativity, magnetism, or long-range dispersion as well as advanced topics like excited-state properties, free energies, and nuclear quantum effects. A team from ANDELA Kenya will be on a standby to partner with participants by giving basic programming skills. During this event, discussions on these concepts will be held thereby raising awareness for success stories, problems, and current challenges.

The workshop features intense morning lectures that introduce basics and advanced topics. In the afternoons, participants will be treated to rigorous hands-on sessions guided by skilled tutors. The main computational workhorse for the afternoon sessions will be the SIESTA and the Quantum ESPRESSO codes. The overall workshop, however, is not designed to teach a single code, but rather to introduce scientific concepts.

Target participants:

The Workshop targets postgraduate newbies and those already with advanced knowledge in using Density Functional Theory and University Lecturers. Due to limited funding and space allocation, the number of participants will be limited to 60 inclusive of 30m from CUEA. Acceptance decisions will be made within 2 weeks after the application deadline (February 7, 2020). All participants will be required to submit posters regarding their current work that will be discussed during breaks.


1. Prof. George Amolo - KENET.

2. Dr. Christopher Maganga - Kabarak University.

3. Dr. George Manyali - Kaimosi Friends University College.

4. Dr. Mike Atambo - The Technical University of Kenya.

5. Dr. Winnie Mulwa - Egerton University.



1. The Catholic University of Eastern Africa





6. University of Columbia

For more details see poster here.



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