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.
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.
Sandra, together with Jeremy has published the conference report Symposium of Theoretical Chemistry in Zurich in Chimia.
Fabrizio has received the Spark funding grant from the Swiss National Science Foundation (SNSF).
Open PhD position in our group
Conference picture of the 59th Symposium on Theoretical Chemistry
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 to the board of trustees of the Paul Karrer Lecture.
Yuhang has successfully defended his MSc thesis. Amazing work!
The 59th Symposium on Theoretical Chemistry, co-hosted at ETH Zurich by the Richardson and Luber groups, is now open for registration! Sign up today!
Momir has won a grant from the Dr. Helmut Legerlotz-Stiftung. Congratulations!
Edward, Johann and Sandra published an article discussion The position operator problem in periodic calculations with an emphasis on theoretical spectroscopy
Ruocheng and Sandra just published a research paper together with Giovanni from Max Planck Institute for Solid State Research on Magnetic Interactions in a [Co(II)3Er(III)(OR)4] Model Cubane through Forefront Multiconfigurational Methods in Journal of Chemical Theory and Computation.
The Swiss National Supercomputing Centre has published an article on Ruocheng’s, Johann’s and Sandra’s research on Automatic purpose-driven basis set truncation for time-dependent Hartree–Fock and density-functional theory. Read it here!
Vibrational circular dichroism spectra of natural products by means of the nuclear velocity perturbation theory by Edward, Chandan and Sandra has been published in Spectrochim. Acta A.