ABINIT Discussion Forums

CECAM/Psi-k Yambo School - Lausanne 24-28 April 2017

The Yambo team is pleased to announce the school on:
"Advanced computing of excited state properties in solids and nanostructures with Yambo"
that will take place from April 24 to April 28, 2017 at the CECAM headquarters in Lausanne (Switzerland).

The application deadline is on February 24, 2017.
You can submit your application via:
https://www.cecam.org/workshop-6-1386.html
Applicants should have a working knowledge of a DFT or quantum-chemistry code.

This 5-day hands-on tutorial funded by CECAM and Psi-k will provide training in the theory and practice of computing electronic and optical excitations within density functional and Green’s function approaches (GW, TDDFT and BSE). Lectures will also focus on the application of these techniques to the study of realistic and challenging systems using the Yambo code within a massively-parallel environment.

The number of participants will be limited to approx. 30. The organization will partially cover living expenses (hotel) of the participants. Acceptance decisions will be made within 1 week after the deadline on the basis of motivations and CV provided at the moment of application. A small number of participants needing visas may be accepted in advance. For more details, please follow the above link.

School description:
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Characterization and engineering of advanced materials and nanostructures often require an accurate description of their excited state properties. This school will provide a balanced training both in the fundamental theory of electronic and optical excitations as well as practical strategies for computation of such challenging systems within a massively parallel environment. In particular, lecturers and invited experts will: (1) discuss the formalism of the description of electronic excitations (fundamentals of many body Green’s function theory, as well as technical aspects); (2) contextualise the practical strategies and motivations on a larger scale; and (3) demonstrate practical applications using the Yambo code.

The current trends in high performance computing are towards massively parallel, distributed memory architectures, which require both specially tuned software as well as skilled users to obtain results efficiently. Recent years have also witnessed the rise of high-throughput computation, electronic structure databases, and automated benchmarking. While these schemes offer exciting possibilities within materials science, there remains a dearth of practical skills to handle properties beyond the DFT level. Our goal is to thus equip students with the fundamental knowledge, practical skills and computational tools needed to tackle today’s challenging problems in materials science.

Lectures on the foundations of the theoretical methods will be complemented by technical ones on numerical and computational aspects. Three keynote talks will be given by invited expert speakers from outside the Yambo community, and will cover advanced computational material science methods (Prof Nicola Marzari - EPFL), trends in high performance computing (Dr Carlo Cavazzoni - CINECA), and alternative GW-BSE computational frameworks (Dr Xavier Blase, CNRS Grenoble). A significant part of the school will be dedicated to hands-on tutorials, where participants will be given the opportunity to carry out excited state calculations on several paradigmatic systems under the guidance of the Yambo code developers. A detailed program is available at: https://www.cecam.org/workshop-0-1386.html

With kind regards,
the Yambo Team
http://www.yambo-code.org