From Updates on Machine-Learned Potential Energy Surfaces to the Latest on Roaming in Formaldehyde
Event details
| Date | 25.03.2021 |
| Hour | 17:15 › 19:00 |
| Speaker | Prof. Joel M. Bowman Emory University, Atlanta, USA |
| Location |
Zoom
Online
|
| Category | Conferences - Seminars |
Prof. Joel M. Bowman
Emory University, Atlanta, USA
"I will describe recent work on high-dimensional potential energy surfaces (PES) for large, floppy molecules, including so-called Delta-Machine Learning. I will start with a short historical perspective about triatomics and tetraatomics and overcoming the 5-atom barrier. Historically the PES for the tetraatomic H2CO molecule has a special place both in development of PESs and in reaction dynamics and the discovery of “roaming” in 2004. Very recent joint experimental and theoretical work on “roaming” in H2CO will be presented."
Emory University, Atlanta, USA
"I will describe recent work on high-dimensional potential energy surfaces (PES) for large, floppy molecules, including so-called Delta-Machine Learning. I will start with a short historical perspective about triatomics and tetraatomics and overcoming the 5-atom barrier. Historically the PES for the tetraatomic H2CO molecule has a special place both in development of PESs and in reaction dynamics and the discovery of “roaming” in 2004. Very recent joint experimental and theoretical work on “roaming” in H2CO will be presented."
Practical information
- General public
- Free