International Conference on Theoretical and Experimental Chemistry: how to design, obtain and investigate functional materials

Invited Speakers

Our Invited Speakers (in alphabetical order, the list will be updated):

 

Dr Dušan Dimić University of Belgrade, Faculty of Physical Chemistry From Crystal Structure to Biomolecular Function: Experimental and Theoretical Insights into Pyridoxal-Based Metal Complexes

Primary research areas of Dr Dimić include structural and reactivity analysis of novel and known coumarin and catecholamine derivatives, as well as transition metal complexes, by various spectroscopic (IR, Raman, Uv-Vis, NMR, and EPR) and theoretical (DFT, NBO, and QTAIM) methods.

 

Prof. Denis Jacquemin Nantes Université, Département Chimie Building the QUEST database: the computational and chemical challenges of obtaining reference excited-state data

Scientific interests of Professor Jacquemin are connected with quantum chemistry and computational spectroscopy, including: optical spectra (absorption, fluorescence, phosphorescence, organic and inorganic dyes, fluorophores...), photochromism, single and coupled molecular switches, proton transfer phenomena (DNA and ESIPT), linear and nonlinear optics (hyperpolarizabilities, two-photon absorption), as well as reference values for excited-state energies and properties (achieving chemical accuracy).

 

Dr Alessandro Pedretti Università degli Studi di Milano, Dipartimento di Scienze Farmaceutiche From Molecular Dynamics to Machine Learning: A Local-to-Global Strategy for Predicting Protein–RNA Binding Affinity

The areas of research in the Drug Design Laboratory, where Dr Pedretti is a senior scientist, include improvements in docking analysis, homology modelling, prediction of metabolic pathways, and study of dynamical nature of molecular properties via molecular dynamics techniques. Software developments of the Laboratory include VEGA ZZ, a complete molecular modelling toolkit.