An accurate computational description of electronic excitations and charge-transfer processes that underlie e.g. next-generation energy-conversion, energy-storage, and catalytic systems through time-dependent quantum-mechanical theory is one of the most desirable goals of computational science today! This challenge requires accurate and efficient methods to compute ground and excited states, as well as the ability to explicitly treat real-time dynamics of electrons for systems consisting of hundreds of atoms: TDDFT arguably is the best compromise between accuracy and computational efficiency.
While TDDFT is formally exact, in practice approximations are needed and are far from black box. Many TDDFT scientific studies rely on high-performance super computers. Excellent scaling of TDDFT has been reported up to millions of cores, rendering this technique a highly interesting use case for the next generation of super computers. Clearly, it is essential for a user of TDDFT to have deep understanding of the theory along with hands-on experience in order to sucessfully model systems of interest - this is the goal of this school.
This summer school is aimed at graduate students and postdoctoral fellows from computational as well as experimental research groups who seek to develop a deep understanding of TDDFT, regarding its capabilities, applications, limitations, and high-performance computing context. Attendees will be equipped with the theoretical and practical expertise to simulate time-dependent quantum dynamics and charge transfer phenomena.
Theory lectures in the morning of each day, given by world-leading experts, will cover fundamental, theoretical aspects of TDDFT. Hands-on computational sessions in the afternoon will equip students with practical skills in two or three TDDFT codes. Please bring a laptop computer, as there are none available at TSRC and the hands-on activities require a computer!
Kieron Burke, UC Irvine
Hardy Gross, Max-Planck Institute, Halle
Christine Isborn, UC Merced
Neepa Maitra, Hunter College, CUNY
Shane Parker, UC Irvine
Lucia Reining, ETSF Palaiseau
Andre Schleife, University of Illinois at Urbana-Champaign
Giovanni Vignale, University of Missouri
Practical Session Instructors:
Xavier Andrade, Lawrence Livermore National Laboratory
Alberto Castro, U. Zaragoza
Niri Govind, EMSL-Pacific Northwest National Laboratory
Ken Lopata, Louisiana State University
The school plans to host ~30 interested and very motivated individuals. Talented graduate students and post-docs should apply by Friday, February 10, 2017 (applications opens November 7, 2016). After filling out the application form linked below, no further action is required until accepted applicants receive registration instructions by March 10th.
CLICK HERE TO APPLY
We gratefully acknowledge financial support from the Telluride Science Research Center, the U.S. Department of Energy (grant no. DE-SC0016415), the Research Corporation for Science Advancement, and the Psi-k Network. We also acknowledge resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.
Telluride Intermediate School
725 W. Colorado Telluride CO 81435