Here comes the long-awaited second chapter of our theoretical explorations of the benzene radical anion in liquid ammonia which has been publised as an Editor's pick in the Journal of Chemical Physics. We focus in detail on the Jahn-Teller effect by correlating the molecular distortons with the immediate spin density distribution and discuss the stability of the benzene radical anion in solution by analyzing condensed-phase GW calculations.

Our new contribution on the benzene/ammonia system was published in JPC B today. It focuses for the first time on the experimental view point through photoelectron spectroscopy. We find that unlike charged ions, neutral molecules do not experience pronounced shifts of their photoelectron spectral features following a solvent change, which can be roughly rationalized by a very simple thermodynamic cycle building on the Born solvation free energy equation.

New paper in JPC A focusing on the benzene radical anion in an ammonia environment, now from the point of view of molecular clusters which are gradually extended all the way to the bulk environment limit using effective fragment potentials to allow for the calculation of the bulk binding energy of the excess electron.

Our benzene paper focusing on the Jahn-Teller effect, solvent structure, and theoretical IR spectroscopy of the benzene radical anion in liquid ammonia has been released by JPC L today! I hope this is a beginning of a series...

Our solvated electron research has been press released by Science, including an artist's impression of our observations on the cover!

"The more the merrier" could be the motto of our new work on committee neural network potentials, now preprinted on arXiv. We show that not one, but a committee of eight neural network potentials is useful for molecular dynamics simulation not only as an accurate fit to a particular AIMD simulation, but also as a means of expanding to different thermodynamic state points through biasing the committee disagreement and thus stabilizing the simulation.

As of today, I am starting this website to make news, information and materials about my PhD. journey available to the wide public. Think about it as a 21^st century work journal!