Melissas Vassilios

Melissas Vassilios is an Assistant Professor at the Department of Chemistry, University of Ioannina. His research focuses on theoretical and computational chemistry, particularly in reaction kinetics, transition state theory, and quantum mechanical effects in chemical systems.

Research Highlights:

• Development of dynamic energy functions via ab initio calculations for studying polymeric materials and reaction mechanisms.
• Application of Variational Transition State Theory with multidimensional tunneling corrections to atmospheric, combustion, and biochemical reactions.
• Investigation of tyrosine radical interactions with nitric oxide in enzyme systems, linking quantum mechanics to pathological diagnostics.
• Thermochemical studies of gas-phase reactions using computational methods.

Publications & Software: He has contributed to POLYRATE 6.5, a reaction rate computation program, and published studies on CH3Br/OH atmospheric systems, CH3Cl/OH kinetics, and silicon-based polymer force fields.