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.
Edward has successfully defended his PhD thesis on Chiral Vibrational Spectroscopy with the Nuclear Velocity Perturbation Theory and the Magnetic Field Perturbation Theory. Great job
Rangsiman and Sandra published their article Enabling Direct Photoelectrochemical H2 Production Using Alternative Oxidation Reactionson WO3 in Chemia.
Fabrizio and Sandra published a research article together with the Tilley group and others on Solution phase treatments of Sb2Se3 heterojunction photocathodes for improved water splitting performance in Journal of Materials Chemistry A.
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.
