OSP - Open Science Platform

The Open Science Platform represents the core structural effort of MARVEL that would not have been possible and would not exist without this NCCR. At the same time, it aims to be a world-class effort — enabled by our expertise in automatic, robust high-throughput calculations — to develop a computational facility: an infrastructure, based on AiiDA, comparable to that of a synchrotron or another major brick-and-mortar installation where multiple services are offered to the scientific community. These services start with first-principles calculations: from the capability of obtaining equilibrium geometries and energetics with fail-safe “turnkey” solutions, to develop new methods and workflows for computational spectroscopies and microscopies, where vibrational, magnetic, and optical properties, and STM or TEM images can be obtained for a target material or molecule. The Materials Cloud portal provides access to these capabilities, in an Open Science model where calculations can be deployed on the cloud.

Group Leaders

Giovanni Pizzi
Project leader
EPFL, Lausanne
Nicola Marzari
Director
EPFL, Lausanne
Michel Kenzelmann
Group leader
PSI, Villigen PSI

Members

Loris Ercole
Postdoc, OSP
EPFL, Lausanne
Mohammad Tohidivahdat
PhD student, OSP
EPFL, Lausanne