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.

Click on the images to access the papers

J. Chem. Phys. 2015, 142, 064117
Eur. Phys. J. B 2021, 94179

WIREs Comput Mol Sci. 2019, 9, e1417
J. Phys. Chem. Lett. 2017, 8, 3048−3055
J. Phys. Chem. Lett. 2017, 8, 831-837
Eur. Phys. J. B, 2018, 91, 141

What’s new?

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


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