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MaX e-School on Advanced Materials and Molecular ... (No replies)

2 months ago
pietrodelugas 2 months ago

The EU MaX Centre of Excellence for Supercomputing Applications and its parnters (SISSA and ICTP), in collaboration with the Quantum ESPRESSO Foundation,  the Josef Stefan Institute in Ljubljana, and the Shanghai University, is organizing an ICTP virtual school on Advanced Materials and Molecular Modelling with Quantum ESPRESSO.

The school will cover basic concepts, recent advances and developments, with emphasis on density-functional-theory (DFT) based methods and High-Performance Computing (HPC).

Computational methods in electronic structure theory are a powerful tool for the understanding and the prediction of materials properties at the atomistic level. The combination of the progresses made by condensed matter theory with the increasing computing capabilities provided in HPC centers foster a great interest in computational materials science. Ab-initio electronic structure software like (QE) makes easily available such potentialities to a wide audience of scientists and students.

The school aims to train beginners in computational materials sciences to the efficient use of QE on modern massively parallel architectures, with special emphasis on the emerging architectures based on GPGPUs and on the use of advanced tools for generating, managing, storing, and sharing results.

Additional detailed information as well as the link to the online form for application are available at the following link: http://indico.ictp.it/event/9616

Stefano Baroni (SISSA)
Ralph Gebauer (ICTP)
Anton Kokalj (Jožef Stefan Institute)
Wei Ren (Shanghai University)
Alessandro Stroppa (CNR-Spin)

Local Organizer:

Ivan Girotto (ICTP)




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Ab initio (from electronic structure) calculation of complex processes in materials