The fundamental laws necessary for the mathematical treatment of a large part of physics and the whole of chemistry are thus completely known, and the difficulty lies only in the fact that application of these laws leads to equations that are too complex to be solved.
Paul A. M. Dirac
So let’s see what we can do about it!
Federica Agostini is assistant professor of theoretical chemistry at the Institut de Chimie Physique of the University Paris-Saclay in France since 2016.
Check out the Theme Issue Chemistry without the Born–Oppenheimer approximation of the Philosophical Transaction A edited by Federica Agostini and Basile Curchod!
Click on the images to access the papers
What’s new?
A photochemical reaction in different theoretical representations
The Journal of Physical Chemistry A 2022
Work supported by the ANR Q-DeLight project and by CNRS International Emerging Action
Nonadiabatic dynamics with coupled trajectories
Journal of Chemical Theory and Computation 2021
Work supported by the ANR Q-DeLight project and by the Investissements d’Avenir program
Floquet-driven nonadiabatic dynamics
The Journal of Chemical Physics 2021
Special Topic on Quantum Dynamics on ab initio Potentials
Relaxation dynamics through a conical intersection
The Journal of Chemical Physics 2021
Special Collection in Honor of Women in Chemical Physics and Physical Chemistry
Funding
Federica Agostini's Webpage 