Scientific Report on the workshop: “MARVEL/MaX/Psi-k Tutorial on high-throughput computations: general methods and applications using AiiDA”

EPFL, Lausanne, Switzerland, 22-24 June 2016

Group picture from the AiiDA tutorial, EPFL June 2016

High-throughput computing (HTC) is emerging as an effective methodology in computational materials science for the discovery of novel materials. Its adoption is spreading rapidly at the point that HTC is becoming an essential tool for computational materials scientists.

The aim of the tutorial was to introduce young researchers to HTC, with hands-on tutorials based on the open-source high-throughput platform AiiDA (http://www.aiida.net), complemented by three invited highlight talks to underscore the diverse application fields of HTC.

We report here a summary of what has happened.

Continue reading Scientific Report on the workshop: “MARVEL/MaX/Psi-k Tutorial on high-throughput computations: general methods and applications using AiiDA”

Ove Jepsen

We are sad to report the passing of Ove Jepsen, who died suddently on January 4th at age 73.

Ove was was an internationally recognized pioneer of electronic-structure calculations. From 1979 until beyond his retirement in 2011 he worked at the Max-Planck Institute for Solid-State Research in Stuttgart where he contributed significantly to the friendly, international atmosphere, had many collaborations across departments, and was highly respected.

The full obituary is available here.