The primary purpose of this summer school is to provide an introduction to density functional theory with particular emphasis on practical methodology and implementation aspects. Extensions beyond the standard DFT formalism will also be discussed.
The summer school will be a combination of lectures given by leading experts in the field and a workshop 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 simulations in a number of electronic structure codes, for example including GPAW, Dacapo, Octopus, and Siesta.
During the project part the students will work with the focus on learning to produce publication quality simulations in small groups. The choice of projects will be within the fields of e.g. Catalysis, Molecular electronics, Biophysics, Alloy theory, and Electrochemistry, etc.
Subjects covered in lectures:
· Density Functional Theory
· GPAW and Projector Augmented Waves
· The Siesta program
· Orbital dependent functionals (SIC, van der Waals interactions)
· Time-dependent DFT
· The GW approximation
· Quantum transport theory
· Excitations in nanotubes
· Energy Materials
· Materials Science
· Chemistry at surfaces/Heterogeneous Catalysis
· Materials Informatics
· Coupled Cluster Theory
· Quantum Monte Carlo
Preliminary List of Invited Lecturers:
· Jerry Bernholc, North Carolina State University
· Kieron Burke, University of California Irvine
· Hardy Gross, Freie Universität Berlin
· Bjørk Hammer, University of Aarhus
· Berit Hinnemann, Haldor Topsøe A/S
· Hannes Jonsson, University of Iceland
· Steven Louie, University of California Berkeley
· Bengt Lundqvist, Chalmers Technical University and Technical University of Denmark
· Manos Mavrikakis, University of Wisconsin-Madison
· Jens Jørgen Mortensen, Technical University of Denmark
· Jeppe Olsen, University of Aarhus
· Pablo Ordejon, University of Barcelona
· Angel Rubio, Universidad del Pais Vasco
· Cyrus Umrigar, Cornell University
· Tejs Vegge, Risø National Laboratory
· Hans Skriver, Technical University of Denmark
Scientific Organizing Committee:
· Jens K. Nørskov, Technical University of Denmark
· Karsten W. Jacobsen, Technical University of Denmark
· Jan Rossmeisl, Technical University of Denmark
· Kristian S. Thygesen, Technical University of Denmark
· Thomas Bligaard, Technical University of Denmark
The CAMD summer school is located at the Technical University of Denmark in the pleasant Lyngby area North of Copenhagen.
A diploma which certifies that the students have participated and earned 5 ECTS points will be issued to the participants upon completion of the summer school.
See here for more details
The registration fee is 1000 euro, which covers lectures, materials, computer time, housing during the summer school, summer school dinner, summer school excursion, and lunch during the days with lectures.
A number of scholarships are available to cover the 70 % of the registration fee for participants. In a few special cases, we can even waive the entire fee. The number of students is limited to 60. To apply for the CAMD Summer School, please send a one-page application letter as a pdf-file before April 1st 2008 to Assistant Professor Thomas Bligaard: including:
- Your contact details.
- Your educational background.
- The title of your Ph.D.-project or the focus area of your research.
- A short description of the methodology you plan to use (or already use) in your research project.
- The approximate date you expect handing in your Ph.D.-thesis or terminate your post doctoral contract.
- The contact details of your Ph.D.-supervisor or post doctoral advisor (incl. e-mail address).
- In case you apply for reduced registration fee, please indicate what level of reduction and why you need a reduced fee.
Applicants will hear of acceptance to the school before April 15th, 2008.