Questaal Workshop on Many-Body Perturbation Theory

NREL is hosting a multiday workshop March 11–14, 2024, that will provide a general introduction to ab-initio many-body perturbation theory and applications implemented in the Questaal code.

The Questaal platform has a self-consistent form of many-body perturbation theory, starting with the GW approximation. Self-consistency enables higher fidelity than density-functional theory and the more usual forms of GW. This workshop will have talks on many body perturbation theory and also practical tutorials for the quasiparticle self-consistent GW (QSGW) + Bethe-Salpeter equation (BSE) approximation implemented in the Questaal platform, including hands-on training sessions. It will be held at NREL's campus in Golden, Colorado, and is a continuation of Questaal schools held at Daresbury, England, in prior years. The hybrid event will have both in-person and remote attendees.

The goal of this workshop is to provide a general introduction to Questaal and its capabilities. The beginning of each day will feature external speakers offering lectures on many-body theory. This will be followed by lectures discussing the theory and implementation of Questaal, with introductory tutorials on how to use the code, building on tutorials from prior days. The afternoon will be dedicated to hands-on practice by attendees. Questaal's parallel implementations on both CPUs and GPUs will be explained. For in-person and remote attendees, local computational resources will be provided.

Target Participants

This workshop is aimed at researchers interested in performing high-fidelity, first principles simulations on real materials. This workshop may be of interest to lecturers, postdoctoral researchers, and experienced Ph.D. students.

Invited Speakers

Lucia Reining (École Polytechnique)

Felipe Jornada (Stanford University)

Vojtěch Vlček (University of California, Santa Barbara)

Ayush Asthana (University of North Dakota)

Questaal Instructors

Mark van Schilfgaarde (NREL)

Swagata Acharya (NREL)

Dimitar Pashov (King's College London)

Jerome Jackson (Science and Technology Facilities Council)

Computing Provisions

A computing allocation at NREL will be usable by both in-person and remote attendees. The program organizers will be in touch to help set up access prior to the event.

Remote Participation

A Zoom meeting will be set up for all 4 days of the workshop. The meeting invitation will be shared after registration is finalized.

Lodging

Arrangements for local individual accommodation have been made. Transportation between the hotel and workshop will be arranged. More information will be provided after registration.

Registration

This will be a hybrid event, with a fixed number of in-person attendees and remote attendees who can pre-register before the event. Participants are welcome to bring posters to share.

There is no registration fee. Register using this form.

The registration deadline is Jan. 31, 2024 for in-person attendance. Remote attendees can register until March 1, 2024.

Data and Privacy Notice

NREL staff will use the information you provide only to plan the workshop. NREL will not share this information. See NREL's security and privacy policy.

Contact

For more information, contact Christina Vader, the workshop organizer.