PySCF Virtual Seminar Series#
The PySCF Virtual Seminar Series is a monthly forum where PySCF developers can present, share, and advertise new or ongoing implementations across the PySCF software suite. The seminar is open to everyone, join live via Zoom meeting (there won’t be any recording of the talk), and if you’d like calendar invites so you don’t miss a talk, please fill out the Google Form. If you’re interested in presenting in a future session, you can submit the form.
Important Links#
Upcoming Talk#
Date: April 17th, 2026, 10:30 AM CT
Title: “Perturbative Methods for Excited States and Spectroscopy”
Presenter: Sokolov Group, The Ohio State University
Meeting link:
Entire Schedule#
Talk no. |
Zoom link |
Presenter |
Date Time |
Title |
Institute |
|---|---|---|---|---|---|
9 |
Zoom Link |
Dr. Jincheng Yu |
Jul 17th, 2026, 10:30 AM CT |
Correlation-Consistent Gaussian Basis Sets for Solids |
University of Maryland, College Park |
8 |
Dr. Jiachen Li |
Jun 19th, 2026, 10:30 AM CT |
particle-particle Random Phase Approximation in PySCF for Excited States of Molecules and Defects |
Yale University |
|
7 |
Dr. Nike Dattani and Jaafar Mehrez |
May 15th, 2026, 10:30 AM CT |
PySCF-MRCC interface: Platinum standard electronic structure calculations with arbitrary Hamiltonians |
HPQC LABS |
|
6 |
Sokolov Group |
April 17th, 2026, 10:30 AM CT |
Perturbative Methods for Excited States and Spectroscopy |
The Ohio State University |
|
5 |
Zoom Link |
Rui Li |
Mar 20th, 2026, 10:30 AM CT |
Integration of the multigrid algorithm for efficient Fock build in PySCF with GPU acceleration |
Caltech |
4 |
Zoom Link |
Valay Agarawal |
Feb 20th, 2026, 10:30 AM CT |
Vendor independent GPU acceleration of multireference calculations with PySCF |
Gagliardi Group, University of Chicago |
3 |
Zoom Link |
Bhavnesh Jangid |
Jan 16th, 2026, 10:30 AM CT |
Multi-configuration state interaction methods in PySCF |
Gagliardi Group, University of Chicago |
2 |
Zoom Link |
Dr. Yu Jin |
Dec 19th, 2025, 10:30 AM CT |
Memory-efficient high-order coupled cluster implementations in PySCF |
Flatiron Institute |
1 |
Zoom Link |
Dr. Chenghan Li |
Nov 21st, 2025, 10:30 AM CT |
Accurate and Fast Periodic QM/MM for Large-scale Problems |
Chan Group, Caltech |