NOMAD-Industry Workshop 2022


IRIS Adlershof at Humboldt Universität zu Berlin
June 24 and 25, 2022


This is a closed meeting of our industry advisory board and PIs of the NOMAD Center of Excellence.

Previous meetings had proved to be very valuable and constructive, in explaining NOMAD's progress towards exascale computing and in handling extreme-scale data, and in learning about current and future needs of different industrial domains.

The agenda for the workshop can be found further down the present webpage.



The workshop starts on June 24 after lunch (at 14:00 CEST), and the scientific part ends on June 25 before lunch. It finishes with a concert by the Berlin Philharmonic Orchestra at the Waldbühne, one of the most impressive open air arenas in Europe.

The scientific part comprises 11 talks, of which 7 will be given by NOMAD Principal Investigators (PIs), and 4 by representatives of different NOMAD industrial partners

Each talk will last for about 25 minutes, followed by 5 minutes of discussion time, for a total of 30 minutes per presentation topic. In addition there are several discussion sessions.

The list of participants can be found under the following password-protected link (the password is available upon demand - please see the organizer's contact details).


Date & Location

The Workshop takes place on June 24 and 25, 2022, at the ground floor seminar room of the IRIS building of the Humboldt University in Berlin.

The address of the meeting venue is: Zum Großen Windkanal 2, 12489 Berlin, Germany

Google Maps Location


Hotel Accommodation

Accommodation will be offered at the Hotel Essential by Dorint Berlin-Adlershof, Rudower Chaussee 15, 12489 Berlin 

Google Maps Location


Social Event – Concert at the Waldbühne

The concert starts at 8:15 pm but it is advisable to be there 30-60 minutes in advance. You should receive the tickets at least 2 weeks in advance.

Concert address: Waldbühne, Glockenturmstraße 1, 14053 Berlin, Germany

Google Maps Location

More information about this concert event can be found under the following link.

Please note the entrance requirements for the concert venue concerning bags, personal belongings etc..., explained under the following link.


Further Assistance and Information

For all further information related to this event, please send an email to Gabriele Mogni, the assistant scientific coordinator in NOMAD:

Contact telephone: (0032) 499154073

Event organizers: Gian-Marco Rignanese, Gabriele Mogni, Matthias Scheffler, Sebastian Kokott


Workshop Agenda (all times are in CEST)

You can also find some of the talk abstracts under the following online folder.


Workshop day 1 (June 24, 2022)

Day 1: talks by NOMAD academic PIs

14:00 - 14:30 Welcome address and overview talk

Matthias Scheffler

(The NOMAD Laboratory at the FHI, Max Planck Society)

14:30 - 15:00 OPTIMADE: A Common REST API for Materials Databases Interoperability

Gian-Marco Rignanese

(Institute of Condensed Matter and Nanosciences (IMCN) at the Université Catholique de Louvain)

15:00 - 15:30 Reducing the carbon footprint by AI-guided workflows; the NOMAD AI Toolkit for academia and industry

Luca Ghiringhelli

(FAIRmat and the NOMAD Laboratory at the FHI, Max Planck Society)

15:30 - 16:00 Workflows

Geoffroy Hautier

(Engineering department at Dartmouth College, and the Université Catholique de Louvain)

16:00 - 16:30


Coffee break


16:30 - 17:00 Exascale Computing in Europe and its Impact on Industry

Erwin Laure

(Max Planck Computing and Data Facility -  MPCDF)

17:00 - 17:30 Green-X library

Claudia Draxl

(FAIRmat and Humboldt-Universität Berlin)

17:30 - 18:00 CC theory for solids

Andreas Grueneis

(TU Wien)


18:00     General Discussion



Workshop day 2 (June 25, 2022)

Day 2: talks by NOMAD industry partners (titles TBD)

09:00 - 09:30 Accuracy and extrapolation of 0K DFT calculations at GTT-Technologies

Moritz to Baben

(Managing Director at GTT-Technologies)

09:30 - 10:00 The industrial value of materials modeling: data, simulations, and understanding

Erich Wimmer

(Chief Scientific Officer and Chairman of the Board at Materials Design, Inc.)

10:00 - 10:30




10:30 - 11:00


Coffee break


11:00 - 11:30 Insights into Battery Materials from Atomistic Modeling

Ansgar Schaefer

(Executive Expert and Competence Lead Quantum Chemistry, BASF SE)

11:30 - 12:00 A Data Management Platform to Enable Material Informatics

Davide di Stefano

(Senior Project Manager R&D at Ansys)



Final Discussion




Berlin Philharmonics Concert at the Waldbühne