In collaboration with the Quantum ESPRESSO Foundation and CECAM, the Abdus Salam International Centre for Theoretical Physics (ICTP), Trieste, Italy, is organizing an Advanced Quantum ESPRESSO Developers? Training Workshop, to be held in Trieste from January 19 to January 30, 2015. The activity will immediately follow the /XVII International workshop on Computational Physics and Materials Science: Total Energy and Force Methods/, to be held at ICTP from January 15 to January 17, 2015.
For additional information and registration visit http://indico.ictp.it/event/a14257/ Deadline for registration: 30/10/2014 ----- The rapid development of computer technologies, combined with the current state of electronic-structure theory, is opening new horizons to computational material science. However, the implementation of groundbreaking ideas requires a significant effort, due to the complexity of the current electronic-structure software. Indeed, innovative developments are often hindered by the steep learning curve required to master the state of the art. On the other hand, overcoming this learning curve is necessary to deliver unique contributions to the field, to fully benefit from the availability of open-source software, and to use these tools to their fullest extent with competence and precision. Following-up on the previous development training activities organized in 2013 at ICTP, this advanced training will strongly focus on lowering the barrier to learn how to program within the Quantum ESPRESSO distribution. Objectives of the workshop are: ? Enabling participants to close the gap between theory and implementation of Kohn-Sham DFT ? Understanding the fundamentals of the most common codes for electronic-structure calculations, such as the setup of simulation environment and potentials, self-consistent solvers and energy functionals, ? Analyzing existing post-processing extensions to acquire experience about most common strategies for achieving a modular, extensible and reusable new features. ? Identifying the major components of the Quantum ESPRESSO distribution that are relevant while designing a post-processing extension, including the phase of integration to the existing code. ? Expanding and consolidating a community of researchers who are comfortable with the internal workings of a complex software for electronic structure calculations. The event is aimed to a selected, small group of scientists with relevant experience in scientific code development. Prior to the event, all the selected participants are requested to follow pre-course material that will be provided to guarantee an adequate preparation to both theoretical and practical aspects of the Workshop. Main part of the laboratory session will see participants working closely with world-class experts with the final goal of implementing an additional, new feature into the official distribution of Quantum ESPRESSO. The organizers target a successful event whose advances will be submitted for publication in a computational physics peer-reviewed journal, after the completion of the workshop. Participation Applicants from all countries that are members of the United Nations, UNESCO or IAEA may attend. The accommodation expenses will be covered for all participants staying at the ICTP guest house. As a rule, travel and subsistence expenses of the participants should be borne by their home institutions. Every effort should be made by candidates to secure support for their fare (or at least half-fare). Limited funds are available for some participants, who are nationals of, and working in, a developing country. There is no registration fee. The selection is restricted to people with experience on DFT theory that demonstrate to fulfill the following requirements: good knowledge of Linux shell environment, basic knowledge of FORTRAN programming language, basic knowledge of Quantum ESPRESSO or similar packages for electronic structure calculation based on DFT. As the Workshop will be conducted in English, participants should have an adequate working knowledge of this language. Organizers: Stefano de Gironcoli (SISSA) Paolo Giannozzi (University of Udine) Emine Kucukbenli (EPFL) Layla Martin-Samos Colomer (University of Nova Gorica) Ari Paavo Seitsonen (Ecole Normale Superieure) Local Organizer: Ivan Girotto (ICTP) Instructors: Alexander David Hernandez-Nieves (Bariloche Atomic Center, Argentina) Javier Daniel Fuhr (Bariloche Atomic Center, Argentina) Venue: 19-30/01/2015 (Miramare - Trieste, Italy) -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140925/5eaf62c9/attachment.html
