The 10th OpenMolcas Developers' Workshop
Uppsala 8-10 June 2022

Invited speakers

Mickael G. Delcey - KTH

Multiconfigurational quantum chemistry from laptop to HPC

Anthony Scemama - CNRS/TREX

The TREXIO file format and library

Daniel Opalka - EuroHPC Joint Undertaking

The European High Performance Computing Joint Undertaking - Opportunities for R&I

Pierre-François Loos & Martial Boggio-Pasqua - CNRS/Université Toulouse III

Benchmarking multiconfigurational methods for vertical excitation energies

George Booth - King's College London

Construction of local active spaces for fragmented large systems

Federica Agostini - University Paris-Saclay

Theory and simulation of ultrafast processes in molecules

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We are pleased to announce the 10th edition of the OpenMolcas developers' workshop, bringing together the community of developers, users, and anyone else interested in the project. This year the workshop is hosted by the Quantum Chemistry Group at Uppsala University and we are very excited to announce that we have partnered up with TREX and ENCCS, which will help us with the organization, but most importantly will contribute to the scientific part as well!

We invite everyone to join us here in sunny Uppsala, where the workshop will take place, but we understand that in these uncertain times it might still be difficult to travel. No worries, the workshop is offered in a hybrid format, and anyone who registers is able to participate exclusively online.

As every year, this meeting is an opportunity for developers and users to present their work and discuss about the future directions of the project. Guest lecturers are invited as well, providing an external perspective and the opportunity to create new collaborations.

Whether or not your are able to attend the meeting, please note that our Zulip community is always open.