New position
A new PhD position is available in our group. We’re looking forward to your application!
News
Propagated (fragment) Pipek–Mezey Wannier functions in real-time time-dependent density functional theory
Lukas and Sandra published a research article on Propagated (fragment) Pipek–Mezey Wannier functions in real-time time-dependent density functional theory in the Journal of Chemical Physics.
PhD Thesis Eva
Eva successfully defended her thesis on Computational Studies of Environment Effects on Ultrafast Non-radiative Photodynamics. Congratulations!
Philiphs J Stevenson – Magn Field Pert.
The article by Edward, Tomáš, Chandan, and Sandra, Implementation of Nuclear Velocity Perturbation and Magnetic Field Perturbation Theory in CP2K and Their Application to Vibrational Circular Dichroism, has won the Philip J. Stephens Award.
Chiral Spectroscopy of Bulk Systems with Propagated Localized Orbitals
Lukas and Sandra published a research article on Chiral Spectroscopy of Bulk Systems with Propagated Localized Orbitals in Journal of Chemical Theory and Computation.
The Role of Aqueous Solvation on the Intersystem Crossing of Nitrophenols
Eva, Momir and Sandra published a research article on The Role of Aqueous Solvation on the Intersystem Crossing of Nitrophenols in Journal of Chemical Theory and Computation.
Mobility Quest
Sandra Luber is part of the jury for the quantum mobility Quest by Airbus and BMW.
Vibrational spectroscopy by means of first-principles molecular dynamics simulations Most downloaded article
The article by Edward and Sandra, Vibrational spectroscopy by means of first-principles molecular dynamics simulations, was one of the most downloaded during its first 12 months of publication in WIREs.
research article on A Local Diabatisation Method for Two-State Adiabatic Conical Intersections
Eva, Momir and Sandra published a research article on A Local Diabatisation Method for Two-State Adiabatic Conical Intersections in Journal of Chemical Theory and Computation.
Conference report Symposium of Theoretical Chemistry in Zurich in Chimia.
Sandra, together with Jeremy has published the conference report Symposium of Theoretical Chemistry in Zurich in Chimia.
Spark funding grant
Fabrizio has received the Spark funding grant from the Swiss National Science Foundation (SNSF).
Open PhD position in our group
Open PhD position in our group
59th Symposium on Theoretical Chemistry
Conference picture of the 59th Symposium on Theoretical Chemistry
Award for Anna
Anna has received an award for her poster ‘Linear optimization of molecular vibrational states’ at the European Conference on Computational & Theoretical Chemistry 2023 in Thessaloniki, Greece.
Sandra has been elected
Sandra has been elected to the board of trustees of the Paul Karrer Lecture.