The funded project focuses on developing advanced nickel catalysts for efficient use in redox and photochemical reactions as an environmentally friendly alternative to methods that rely on precious and toxic metals.

The Laboratory of Computational Thermodynamics, in collaboration with Technische Universität Berlin, presents in a new study published in Molecular Pharmaceutics the capabilities of the quantum mechanics-aided COSMO-SAC model to predict the compatibility of drugs and polymers. This is a key aspect in the design of drug formulations based on amorphous solid dispersions. The related computational tool COSMOPharm is freely available on GitHub. The study was supported by the Czech Science Foundation (project 22-07164S).

A new work  “How Does Mg²⁺_(aq) Interact with ATP_(aq)? Biomolecular Structure through the Lens of Liquid-Jet Photoemission Spectroscopy”   was published Journal of the Amercial Chemical Society. The research team PHOTOX from our department has provided the interpretation of the experimental results.