This autumn school introduces first-principles electronic-structure calculations. Lectures provide theoretical background on methods and materials. Practical experience will be gathered during hands-on tutorials using our CP-PAW code. In the optional second week the focus will be on a guided self-study project which will be presented in a seminar. The course targets physicists and chemists during their masters or PhD studies.
|One-week Course||Two-week Course|
|Dates||28.08. – 1.09.2023||28.08. – 8.09.2023|
|Time||Monday - Friday: 9:00 – 18:00 CEST (UTC+2h)|
|Location||Georg-August University, Göttingen, Germany|
|Organizers||Prof. Dr. Peter E. Blöchl, M.Sc. Lukas Rump |
Dr. Robert Schade, Dr. Xin Wu
|Registration & |
|UniVZ TU Clausthal||S2415|
In the first week (28.08. – 1.09.2023), students attend lectures in the morning to obtain the theoretical background. Tutors guide practice sessions on using the CP-PAW code in the afternoon. After finishing this week of the course, the participants can independently develop and carry out density-functional calculations and subsequently analyze and judge their results.
Participants decide whether to attend the second week of the course (4.09. – 8.09.2023). They will carry out individual guided projects which they will present in a seminar at the end of the week. Additionally, there will be lectures on advanced topics of density-functional calculations.
The goal of the course is that participants learn to perform density-functional calculations of molecules and solids. Participants will learn to design electronic structure calculations, perform the calculations, analyze results and evaluate their quality. The second week provides additional insight into specialized topics of density-functional methods. Participants train electronic structure calculations in one dedicated project out of a proposed selection.
The course is supported and organized by the Institute for Theoretical Physics of the Clausthal University of Technology, the Institute for Theoretical Physics of Georg-August University Göttingen, the Paderborn Center for Parallel Computing, and the CRC 1073 Atomic Scale Control of Energy Conversion funded by the German Research Foundation DFG. The course is part of the Integrated Research Training Group of the CRC 1073.