Researchers from the Institute of Chemistry, Technology and Metallurgy (IHTM), dr Sonja Grubišić and dr Ivana Đorđević, in collaboration with colleagues from the University of Tartu (Estonia) and Gustave Eiffel University (Paris, France), have published a scientific paper in the international journal Small Structures, published by Wiley.

The paper entitled: “Chemically Accurate Prediction of CO₂ Adsorption Thermodynamics in Metal–Organic Framework CALF-20: Complementary Ab Initio Modeling and Grand Canonical Monte Carlo Simulations” is part of the article collection in the special issue ‘Confined Molecular SYstems: From a New-Generation of Materials to the Stars’, where dr Sonja Grubišić serves as Guest Editor.

This work provides an important contribution to understanding CO₂ adsorption thermodynamics in metal–organic frameworks and confirms the successful international collaboration of ICTM researchers.