High-Performance & High-Throughput Materials Simulations using Quantum ESPRESSO and AiiDA - ICTP Trieste, Jan 2017
The goal of the Workshop http://indico.ictp.it/event/7921/other-view?view=ictptimetable is to enable participating scientists to combine the most advanced approaches to quantum materials simulation with an in-depth understanding of modern parallel architectures. The intensive program offers theoretical and technical lectures, as well as demonstrations and dedicated hands-on sessions exploring the most relevant HPC resources for scientific production. Participants learn how to handle the research codes in the Quantum ESPRESSO more efficiently, and to handle the AiiDA framework to manage, store, share, and disseminate the workload. The partner Yambo code is also used to teach basic aspects of MBPT (GW and linear-response).