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 …
Yang
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 …
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! 🎉 …
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 …
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 …
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 …
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 …
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 …
Zehua Won 2024 ACS PHYS Young Investigator Award
We are delighted to announce that Dr. Zehua Chen has been honored with the prestigious 2024 ACS PHYS Young Investigator Award in Physical Chemistry! This award acknowledges Zehua’s outstanding contributions to the field of theoretical …
Concluding the 2024 Spring Semester: A Look Back
We have several key events to celebrate together: Zhe passed his Research Proposal (RP) exam on March 22nd, 2024. Yuzhe passed his Thesis Background Exams (TBE) on April 2nd, 2024. Yiwen passed her Thesis Background …