Yang Receives Sloan Fellowship and ACS COMP OpenEye Award
We are happy to share that Yang has received a 2026 Sloan Research Fellowship and the ACS COMP OpenEye Cadence Molecular Sciences Outstanding Junior Faculty Award in Computational Chemistry. These recognitions would not have been …
April 12, 2026
Our Group Participates in ACS Spring 2026 Meeting
Members of our group participated in the ACS Spring 2026 Meeting in Atlanta, Georgia. Haoran Chen, Yiwen Wang, Zehua Chen, and Yang Yang each gave oral presentations on recent research from our group, and Lin …
March 31, 2026
Two New CNEO Landmark Papers from Our Group in JCTC
Today marks the official issue publication of two additional landmark papers from our group in Journal of Chemical Theory and Computation. Constrained Nuclear-Electronic Orbital Theory for Quantum Computation — led by Hirschfelder postdoc Tanner Culpitt …
August 26, 2025
Celebrating Summer and Science by Lake Mendota
Nothing says summer in Madison like an afternoon at the Terrace! On the afternoon of July 25, our group, along with some students from the Theoretical Chemistry Institute, spent a relaxing and fun time at …
July 26, 2025
New Publication: Reaction Rate Calculations with Quantum Nuclear Delocalization Effects Incorporated via the CNEO Framework
We are excited to share our latest research, titled Constrained Nuclear-Electronic Orbital Transition State Theory Using Energy Surfaces with Nuclear Quantum Effects, which has just been published in Journal of Chemical Theory and Computation! 🎉 …
January 7, 2025
Congratulations to Dr. James Langford on Earning His PhD!
James joined our group in Fall 2019 and successfully defended his PhD in June 2024. He deposited his thesis in August. James is the first author of two papers, with one currently under review after …
September 5, 2024
New Support from NSF: CNEO Integration into Leading Computation Packages
We are excited to share that our group is supported by the NSF (OAC and CHE divisions) to integrate our Constrained Nuclear-Electronic Orbital (CNEO) framework into some of the most widely used quantum chemistry and …
September 4, 2024
Yang Group Celebrates Success and Awards at the 2024 ACS Fall Meeting
The Yang group returned from the 2024 ACS Fall meeting. In the meeting, Dr. Zehua Chen presented his work on developing the CNEO framework within the group. For his excellent work in the group, he …
August 22, 2024
Yiwen Selected as MolSSI Software Fellow
We are pleased to announce that our group member, Yiwen Wang, has been selected as a 2024-2025 MolSSI Software Fellow. With this support, Yiwen will be dedicated to implementing the CNEO functionalities in open-source quantum …
July 3, 2024
54th MWTCC Successfully Hosted at UW-Madison
Yang led the organization of this year’s MWTCC at UW-Madison from May 30 to June 1. This marks the 54th MWTCC and the 5th time it has been held in Madison. Approximately 150 attendees participated …
June 2, 2024- More News