HPC & other events

The 10th edition OpenMolcas developers' workshop

Molcas workshop
08 - 10 Jun - Jun

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 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 the future directions of the project. Guest lecturers are invited as well, providing an external perspective and the opportunity to create new collaborations.

Important dates

  • 1st May 2022: Registration deadline for any form of presentation (in-person or online).
  • 15th May 2022: Deadline for abstract submission and registration for in-person participation.
  • 7th June 2022: Registration deadline for online participation.

TREX Speakers

Presentation titleTREXIO file format and library
Speaker: Anthony Scemama (CNRS/Toulouse, France)

Get a copy of the presentation here

Presentation title: Dispersion interactions in exciton-localised states
Speaker: Michal Hapka (Lodz University of Technology, Poland)

Presentation title: Selected configuration interaction for transcorrelated methods
Speaker: Abdallah Ammar (CNRS/Toulouse, France)

Presentation title: Optimization of Jastrow factors for Similarity Transformed quantum chemical methods
Speaker: Pablo Lopez Rios (Max-Planck Institute for Solid State Research, Stuttgart, Germany)

Get a copy of the presentation here



Preliminary Agenda

Time Wednesday, June 8, 2022 Thursday, June 9, 2022 Friday, June 10, 2022
9:00 Check-in Invited Invited
9:30 Contributed Contributed
9:50 Contributed Contributed
10:10 Opening Coffee break Coffee break
10:30 Invited Invited Invited
11:00 Contributed Contributed Contributed
11:20 Contributed Contributed Contributed
11:40 Contributed Contributed Contributed
12:00 Lunch Lunch Lunch
13:30 Invited Discussion Invited
14:00 Contributed Contributed
14:20 Contributed Contributed
14:40 Contributed Contributed
15:00 Coffee break Coffee break Coffee break
15:30 Invited Free afternoon Contributed
15:50 Contributed Contributed
16:10 Contributed Contributed
16:30 Poster Session Closing remarks
Gala dinner  


Event page