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 …
Year: 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 …
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! 🎉 …