The School will focus on some basic computational methods, such as ab-initio methods and density functional theory approach and their applications in studying the electronic structures and properties of various physical systems.

There will be theoretical lectures where the basics of the methods will be discussed and the hands-on tutorials sessions where students will learn to solve some given physical problems with computer programs and teacher’s instructions. The tutorials will be based on the Quantum-Espresso package.

The number of participants in hand-on tutorial in computer lab is limited to 20. Participants should know basic usage of Linux, graph soft-wares xmgr, and programming language Fortran.

All lectures are conducted in English. So participants should have an adequate working knowledge of that language.

Lecturer:

1. Prof. Sandro Scandolo (ICTP and Democritos, Trieste, Italy)
2. Dr. Vincent Sacksteder (United States of America)

List of participants: clik here to see the list

Topics:

• Ab-initio methods
• Plane waves, Pseudopotentials and Density Functional Theory
• Ab-initio Molecular Dynamics
• Applications in Earth Science and Materials Science

Lecture notes: clik here to download

Timetable:

Before the school, on Monday, 26 November. lectures and hand-on tutorials on Linux basics are given (by Vincent Sacksteder, Nguyen Tri Lan and Tran The Trung) for those who will participate in computer labs.(start at 8h30 AM)