RASESMA 2023 Nairobi

RASESMA flyer

The Venue and How to reach it

The event will be hosted by the Technical and Applied Physics Department, school of Physics and Earth Science in lab N211 on the second floor of the N block, the first building on your left on entering through the public entrance on Workshop Road. Please follow the following navigation map link to arrive a the university. Access to the university requires registration with security at the gate, your destination will be N301, 3rd Floor, N-Block in the Physics Department, there is no access restrictions to enter the laboratory.

Setting up Yambo, QE and the tutorials

To be able to follow the school you need a running version of the yambo/QE codes, and the files and databases needed to run the tutorials.

Detailed instructions about the code(s) installation can be found in this dedicated page.

After installing the code you can setup the tutorial files following the instructions provided in the Tutorial files page.

Sunday 19 Feb

For those who will be already in Nairobi we will have a get together & Yambo installation session at the YMCA South C starting from 18:00.

If you are interested drop an E-mail at rasesma2023@tukenya.ac.ke

Monday 20 Feb

Morning

Time	Lecture	Speaker
09:00 - 09:20	Welcome & Introduction	The Organizers
09:30 - 10:20	General Introduction to Density Functional Theory	Omololu Akin-Ojo
10:20 - 11:10	Kohn-Sham, Exchange-Correlation functionals, approximations	Korir Kipronoh
11:10 - 11:30	Break
11:30 - 12:20	Density Functional Theory in practice: Plane-Waves, pseudopotentials	Omololu Akin-Ojo or Korir Kipronoh
12:20 - 13:30	Lunch

Afternoon

Time	Tutorial	Tutor(s)
13:30 - 15:00	Introduction To Quantum Espresso	Mike Atambo
15:00 - 15:30	Break
15:30 - 17:00	Introduction to Yambo	Yambo Team
	The Yambo Philosophy
	Technical Introduction to Yambo
	database generation for bulk hBN

Tuesday 21 Feb

Morning

Time	Lecture	Speaker
09:00 - 09:50	Introduction to Spectroscopy	Matteo Gatti
09:50 - 10:40	Linear Response Theory	Andrea Marini
10:40 - 11:10	Break
11:10 - 12:00	Introduction to TDDFT in extended systems	Matteo Gatti
12:00 - 13:00	Lunch

Afternoon

Time	Tutorial	Tutor(s)
13:00 - 15:00	Initialization	Yambo Team
	Input file generation and command line options (5.0)
15:00 - 15:30	Break
15:30 - 17:00	Optics at the independent particle level
	Local fields

Wednesday 22 Feb

Morning

Time	Lecture	Speaker
09:00 - 09:50	Quantum Mechanics in a nutshell	Andrea Marini
09:50 - 10:40	Introduction to the GW method	Matteo Gatti
10:40 - 11:10	Break
11:10 - 12:00	GW In Practice	Mike Atambo
12:00 - 13:00	Lunch

Afternoon

Time	Tutorial	Tutor(s)
13:00 - 15:00	How to obtain the quasi-particle band structure of a bulk material: h-BN	Yambo Team
15:00 - 15:30	Break
15:30 - 17:00	Introduction to the Yambo Parallel structure
	GW parallel strategies

Thursday 23 Feb

Morning

Time	Lecture	Speaker
09:00 - 09:50	Real-Time approach to BSE	Andrea Marini
09:50 - 10:40	Introduction to the Bethe-Salpeter equation for excitons	Matteo Gatti
10:40 - 11:10	Break
11:10 - 12:00	Review of concepts and discussion	The organizers
12:00 - 13:00	Lunch

Afternoon

Time	Tutorial	Tutor(s)
13:00 - 15:30	Calculating optical spectra including excitonic effects: a step-by-step guide	Yambo Team
15:00 - 15:30	Break
15:30 - 17:00	How to choose the input parameters

Friday 24 Feb

Morning

Time	Lecture	Speaker
09:00 - 10:40	Introduction to Yambopy (lecture)	Mike Atambo
	First steps in Yambopy (Hands-on)
10:40 - 11:10	Break
11:10 - 12:00	Review of concepts and discussion	The organizers
	Proposed exercises
	(Some) existing exchange programs
12:00 - 13:00	Lunch

Afternoon

Time	Tutorial	Tutor(s)
13:00 - 15:00	Students projects discussion	The Organizers
15:00 - 15:30	Break
15:30 - 17:00	Students projects discussion	The Organizers

Studying material

Quantum Mechanics

• Harmonic oscillator
• Second quantization
• Electron-Phonon
• Photons
• (...)

1. Many-Particle Physics, G.D. Mahan, Chapter 1
2. Modern Quantum Mechanics, J.J. Sakurai, Chapter 1-2

Math

• Ordinary differential equations (1st and 2nd order)
• Complex analysis
• Fourier and Laplace transformations
• Basic functional analysis

1. Mathematical methods in the physical sciences M.L. Boas
2. Time-Dependent Density Functional Theory: An Advanced Course, Appendix A, Engel, Eberhard / Dreizler, Reiner M.

Theoretical Approaches

• Many-Body Perturbation Theory
• Density Functional Theory
• Density Functional Perturbation Theory
• Time-Dependent Density Functional Theory

1. Many-Body Approach to Electronic Excitations F. Bechstedt
2. Electronic excitations: density-functional versus many-body Green's-function approaches G. Onida et al, Rev. Mod. Phys. 74 (2002)
3. Phonons and related crystal properties from density-functional perturbation theory, S. Baroni et al, Rev. Mod. Phys. 73 (2001)
4. Application of the Green's Functions Method to the Study of the Optical Properties of Semiconductors G. Strinati, La Rivista del Nuovo Cimento (1978-1999) volume 11, pages1–86 (1988)
5. Density Functional Theory: An Advanced Course, Engel, E. / Dreizler, R. M.

Approximations

• Hartree-Fock
• Random-Phase Approximation (Linear Response)
• GW/BSE

1. Many-Body Approach to Electronic Excitations F. Bechstedt
2. Application of the Green's Functions Method to the Study of the Optical Properties of Semiconductors G. Strinati, La Rivista del Nuovo Cimento (1978-1999) volume 11, pages1–86 (1988)

More references

Exercises

The following exercises should be possible after having studied the basic concepts described described in the Studying Material section.

Exercies