In collaboration with the research group of Prof. Spingler at UZH, Johann and Sandra published a research article on BODIPY-Based Photothermal Agents with Excellent Phototoxic Indices for Cancer Treatment.
Ruocheng, Johann and Sandra published their article Automatic purpose-driven basis set truncation for time-dependent Hartree–Fock and density-functional theory in Nature Communications.
Karrar and Sandra published a research article on Calix[4]crowns with perfluoroalkylsulfonylcarboxamide functions: a complexation approach for heavy group 2 metal ions in Inorganic Chemistry Frontiers.
Sandra has been elected to the board of the Platform Chemistry of the Swiss Academy of Sciences.
Fabrizio and Sandra published a book chapter on Modeling of solid-liquid interfaces for water splitting catalysis in Elsevier Reference Collection in Chemistry, Molecular Sciences and Chemical Engineering.
Ruocheng successfully defended his thesis on Tailored Approaches for Accelerating Calculations and Obtaining Highly Accurate Insight into Chemical Systems. Congrats 🎉
A review On the vibrations of formic acid predicted from first principles by Anna and Sandra has been selected by the Editors as a 2022 HOT PCCP article.
Anna and Sandra published a review article On the vibrations of formic acid predicted from first principles in PCCP.
Johann Mattiat, a PostDoc in our group, gave a contributed talk entitled Spectroscopic simulations with real-time TDDFT – linear response and gauge dependence at the 58th Symposium on Theoretical Chemistry in Heidelberg, Germany.
Eva has received an award for her poster The ΔSCF method for non-adiabatic dynamics of systems in solution presented at the 58th Symposium on Theoretical Chemistry in Heidelberg, Germany.
