We are a group of researchers working with experimental and theoretical chemistry. Our scientific activity is associated with the University of Wrocław, Faculty of Chemistry. Our scientific interests cover diverse topics, e.g.:

• solvothermal synthesis of coordination polymers in Berghof reactors
• crystallochemistry of organometallic linkages
• physicochemical measurements of minerals properties
• application of quantum-chemical approaches to investigate geometrical, spectroscopic and electronic structure parameters, using broad range of analytical frameworks: Quantum Theory of Atoms in Molecules, Electron Localization Function, non-covalent interaction indices, aromaticity indices…
• molecular dynamics simulations (various schemes: from classical through ab initio to the quantum regime of nuclear motion, including QM/MM approach and metadynamics)
• docking methods as well as QSAR/QSPR using neural networks.

Our theoretical investigations could be divided into two main groups:

• Computer-Aided Drug Design (CADD) application to biologically relevant systems

and

• Various phases simulations using static and molecular dynamics protocols to describe physicochemical properties of diverse systems with special attention devoted to non-covalent intra- and intermolecular interactions (e.g. hydrogen bond, halogen, chalcogen, pnictogen bonds and other interactions).

We collaborate with experimental and theoretical groups, nationwide as well as foreign, to discover the mysteries of Nature based on our knowledge and expertise.

We are also involved in other organizing activities. From 2018 we have organized an annual one-day Polish conference entitled: “From theory to experiment …” More details in Polish about the event you can find at: https://makromol.chem.uni.wroc.pl/pl/otwarte-seminaria

From 2020 we have organized Seminar for Theoretical Chemists “Hamiltonian”. This is an inter-university seminar where researchers on various stages of career meet online to discuss issues not limited to the theoretical chemistry. More information in Polish you can find at: https://makromol.chem.uni.wroc.pl/pl/seminarium-chemikow-teoretykow

Finally, last year, we have established “Forum of artificial intelligence and science of tomorrow”. This is also inter-university WEBINAR devoted to the artificial intelligence and scientific topics, which could bring development in our life. More about the Forum you can find at: https://makromol.chem.uni.wroc.pl/pl/forum-sztucznej-inteligencji-i-nauki-jutra

Now, as you could see, we offer an international WEBINAR where theory and application could meet. In the spirit of open science, we welcome all participants willing to exchange scientific ideas.

All the best,

Organizers