Marcus Center Workshops on Electronic Structure Theory
About this event
The goal of this workshop is to offer a forum for researchers working in the broad field of electronic structure theory, with a focus on methodological advances and their applications to challenging problems in chemistry and materials science. Topics of interest include:
- Theoretical developments such as density functional theory, coupled cluster theory, multireference methods, quantum Monte Carlo, low- and linear-scaling techniques, machine learning approaches, and quantum information science.
- Applications to heterogeneous and homogeneous catalysis, atmospheric chemistry, nonadiabatic processes, materials design, and sustainable chemistry.
Format
This 3-day workshop will feature invited talks from leading experts in the field during the mornings and afternoons of Days 1 and 2, and the morning of Day 3. We welcome participation from and attendance by both theorists and experimentalists interested in electronic structure methods and their applications. Postdocs and students are welcome to attend.
Dates
- Tuesday, June 16, 2026 at 8 am–5 pm (PT)
- Wednesday, June 17, 2026 at 8 am–5 pm (PT)
- Thursday, June 18, 2026 at 8 am–noon (PT)
Location: Noyes Lab 153 at the California Institute of Technology, Pasadena, CA 91125 (building 72 on this map). Information about visitor parking can be found here. The structures nearest to Noyes are #1 and #2 on Wilson Ave.
Registration: Registration is free but required. Please use this link to register by June 1, 2026.
Invited speakers:
- Ksenia Bravaya (Boston University)
- Kay Carter-Fenk (University of Pittsburgh)
- Ji Chen (Peking University)
- Emmanuel Giner (Sorbonne University)
- Diptarka Hait (Columbia University)
- Martin P. Head-Gordon (UC Berkeley)
- Kade Head-Marsden (University of Minnesota)
- Joonho Lee (Harvard University)
- Pierre-François Loos (CNRS and University of Toulouse)
- Miguel Morales (Flatiron Institute)
- James Shee (Rice University)
- Ravishankar Sundararaman (Rensselaer Polytechnic Institute)
- Edward Valeev (Virginia Tech)
- Steven R. White (UC Irvine)
- Yang Yang (University of Wisconsin-Madison)
- Hong-Zhou Ye (University of Maryland, College Park)
- Dominika Zgid (University of Michigan and University of Warsaw)
- Tianyu Zhu (Yale University)
Hosts: Timothy C. Berkelbach (Columbia University) and Sandeep Sharma (Caltech)
Schedule
Tuesday, June 16
8:00–8:30 am: Coffee/tea and breakfast pastries; check in
8:30–9:10 am: Ksenia Bravaya
9:15–9:55 am: Kay Carter-Fenk
10:00–10:30 am: Morning break
10:30–11:10 am: Ji Chen
11:15–11:55 am: Emmanuel Giner
Noon–1:30 pm: Lunch break (not hosted)
1:30–2:10 pm: Martin P. Head-Gordon
2:15–2:55 pm: Kade Head-Marsden
3:00–3:30 pm: Afternoon break
3:30–4:10 pm: Diptarka Hait
4:15–4:55 pm: Joonho Lee
Wednesday, June 17
8:00–8:30 am: Coffee/tea and breakfast pastries; check in
8:30–9:10 am: Pierre-François Loos
9:15–9:55 am: Miguel Morales
10:00–10:30 am: Morning break
10:30–11:10 am: Tianyu Zhu
11:15–11:55 am: James Shee
Noon–1:30 pm: Lunch break (not hosted)
1:30–2:10 pm: Ravishankar Sundararaman
2:15–2:55 pm: Edward Valeev
3:00–3:30 pm: Afternoon break
3:30–4:10 pm: Steven R. White
4:15–4:55 pm: Yang Yang
Thursday, June 18
8:00–8:30 am: Coffee/tea and breakfast pastries; check in
8:30–9:10 am: Hong-Zhou Ye
9:15–9:55 am: Dominika Zgid
10:00–10:30 am: Morning break
10:30 am–noon: Timothy Berkelbach, Garnet Chan, and Sandeep Sharma
No photography or recording allowed except by permission of the organizer.
If you have questions, please contact Marcus Center Administrator, Mi Kyung Kim ([email protected]).