CAMD Summer School 2012

Vision:

The school aims to bring together approximately 80 young researchers (predominantly early PhD-students), go through some of the basic knowledge necessary for carrying out electronic structure simulations on materials with an integrated hands-on tutorial.

An introduction to density functional theory with particular emphasis on practical methodology and implementation aspects will be given and extensions beyond the standard DFT formalism will be discussed. A significant focus will be on the methodology applied “on-top” of DFT calculations in the search after new functional materials.

The summer school will be a combination of lectures given by experts in the field and a tutorial with exercises on the methodology covered in the lectures and exercises giving hands-on-experience with the Atomic Simulation Environment (ASE) supervised by expert users. The ASE is a general purpose open source simulation environment that can be used to setup, control, and analyze electronic structure simulations carried out in a variety of electronic structure codes, e.g. including GPAW, Dacapo, VASP, Octopus, AbInit, ASAP, Siesta, and others.

Subjects covered in lectures will relate to: 

• The fundamentals of Density Functional Theory
• Strategies for solving the Kohn-Sham equations
• Projector Augmented Wave Implementation
• Exchange-correlation functionals
• Error estimation in Density Functional Theory 
• Time-dependent DFT
• Many-body approaches to the electronic structure problem 
• Quantum electron transport theory
• Thermodynamic properties and kinetics from DFT 
• Energy Materials
• Chemistry at surfaces/Heterogeneous Catalysis
• Electrochemistry
• Materials Informatics

Invited Lecturers:

• Kieron Burke, University of California Irvine
• Jussi Enkovaara, CSC - IT Center for Science
• Georg Kresse, University of Vienna
• Angel Rubio, Universidad del Pais Vasco
• Hannes Jonsson, University of Iceland
• Bjørk Hammer, University of Aarhus
• Suljo Linic, University of Michigan
• Jens K. Nørskov, Stanford University
• Per Siegbahn, University of Stockholm
• Troy Van Voorhis, MIT
• Karsten Jacobsen, Technical University of Denmark
• Mike Finnis, Imperial College London
• Per Hyldgaard, Chalmers University of Technology
• Anubhav Jain, Lawrence Berkeley National Laboratory
• Jan Rossmeisl, Technical University of Denmark
• Hardy Gross, Freie Universität Berlin
• Jakob Schiøtz, Technical University of Denmark
• Kristian Thygesen, Technical University of Denmark
• Thomas Bligaard, SLAC National Accelerator Laboratory
• Tejs Vegge Technical University of Denmark

Scientific Organizing Committee: 

• Karsten W. Jacobsen, Technical University of Denmark
• Jan Rossmeisl, Technical University of Denmark
• Kristian S. Thygesen, Technical University of Denmark
• Tejs Vegge, Technical University of Denmark
• Jakob Schiøtz, Technical University of Denmark

Conference administration: 

• Marianne Ærsøe, Technical University of Denmark:

Venue:

The CAMD summer school is located at the Technical University of Denmark in the pleasant Lyngby area North of Copenhagen.

Credits:

A diploma which certifies that the students have participated and earned 2.5 ECTS points will be issued to the participants upon completion of the summer school. 

Programme:

The programme can be seen here. 

Registration (CLOSED):

The registration fee is 700 €, which covers lectures, materials, excursion, and housing during the summer school. Breakfast and lunch are included as well. Except for the welcome dinner and the dinner in connection with the excursion, students are expected to uphold expenses for food in the evenings themselves.