Dear colleagues,

We would like to remind you that the registration for our summer school closes soon on April 23, 2019. Please take the opportunity to register for this unique event:

HANDS-ON DENSITY FUNCTIONAL THEORY AND BEYOND: 

HIGH-THROUGHPUT SCREENING AND BIG-DATA ANALYTICS, TOWARDS EXASCALE COMPUTATIONAL MATERIALS SCIENCE

at University of Barcelona, Spain

from August 26 to September 6, 2019

Topics covered during the event will be the basics as well as recent developments of electronic-structure theory in materials science, solid-state physics, and computational chemistry. The focus will be in particular on density-functional theory (DFT), but also topics beyond DFT will be covered: ab initio thermodynamics, molecular dynamics, and statistical mechanics, excited-state properties, nuclear quantum effects, multi-scale modeling as well as machine learning approaches to potential parametrization, Big-Data dimensionality reduction, and property prediction. A special outlook will be given on the exascale computational material science.

The application and poster-abstract submission interfaces for the workshop are still open until April 23, 2019. For space reasons, the number of participants will be limited to approximately 60. Acceptance decisions will be made soon after the deadline. Financial support is available for a limited number of students.

List of invited speakers:

• Susan Sinnott, Penn State College of Earth and Mineral Sciences, Pennsylvania (USA)
• Weitao Yang, Duke University, Durham (USA)
• Alexandre Tkatchenko, Université du Luxembourg, Luxembourg (LU)
• Christian Carbogno, Fritz Haber Institute of the MPG, Berlin (DE)
• Stefano Curtarolo, Duke University, Durham (USA)
• Scott M. Woodley, University College London, London (UK)
• Arthur F. Voter, Los Alamos National Laboratory, Los Alamos (USA)
• Andreas Grüneis, Vienna University of Technology, Vienna (AUT)
• Luca Ghiringhelli, Fritz Haber Institute of the MPG, Berlin (DE)
• Mateo Valero, Barcelona Supercomputing Center, Barcelona (ESP)
• Patrick Rinke, Aalto University, Aalto (FIN)
• Sergey V. Levchenko, Fritz Haber Institute of the MPG, Berlin (DE) and Skolkovo Institute of Science and Technology, Moscow (RU)
• Xinguo Ren, USTC, Hefei (CN)
• Claudia Draxl, Humboldt University, Berlin (DE)
• Bjørk Hammer, Aarhus University, Aarhus (DK)
• Nicholas Hine, University of Warwick, Coventry (UK)
• William Huhn, Duke University, Durham (USA)
• Peter Kratzer, Universität Duisburg-Essen, Duisburg (DE)
• Ask Hjorth Larsen, Nano-bio Spectroscopy Group and ETSF Scientific Development Centre University of the Basque Country UPV/EHU, Spain (ESP)
• Miguel Alexandre Marques, Martin-Luther-Universität Halle-Wittenberg, Halle (DE)
• Xinguo Ren, USTC, Hefei (CN)
• Karsten Reuter, TU Munich, Munich (DE)
• Mariana Rossi, Fritz Haber Institute, Berlin (DE)
• Stefano Sanvito, Trinity College, Dublin, (IE)
• Matthias Scheffler, Fritz Haber Institute of the MPG, Berlin (DE)
• Kristian Thygesen, Technical University of Denmark, Lyngby (DK)
• Wenzhe (Victor) Yu, Duke University, Durham (USA)
• David Casanova, Donostia International Physics Center, Donostia-San Sebastian (ESP)
• Nikolaj Moll, IBM Research, Zurich (DE)
• Volker Blum, Duke University, Durham (USA)

Please visit our web page for further details and registration:

https://th.fhi-berlin.mpg.de/meetings/dft2019

We are looking forward to seeing you or your co-workers in Barcelona!

The organizers