This year we have two new graduate students joining our group: Yiwen Wang and Yuzhe Zhang. Welcome!
Year: 2022
First grant of the group: NSF CAREER award
We are excited to share the news that our theoretical method development on cNEO-DFT and the applications to molecular vibrational spectra calculations got funded by the NSF Faculty Early Career Development (CAREER) Program. The grant will …
Xi Xu left for a faculty position in China. Farewell!
Today is Xi’s last day at Madison. He is going to Beijing Normal University-Zhuhai to start his independent academic career! Xi has been very successful at UW-Madison. During his 2.5 years postdoc time, Xi developed …
Our first JACS paper: Molecular dynamics based on cNEO-DFT energy surface
In this paper, we combined two theories we developed in our group: cNEO-DFT and CMES-MD and used cNEO-DFT energy as the CMES for molecular dynamics (MD) simulations. We call the new MD method cNEO-MD. On …