Stepas Toliautas

Dr. Stepas Toliautas is an Associate Professor at the Institute of Chemical Physics (Vilnius University), specializing in quantum chemistry and AI applications in physical sciences. His research spans computational chemical physics, focusing on electronic excitations, potential energy surfaces, and high-performance computing (HPC) methods.

• Key Research Areas: Quantum Chemistry, AI in Physical Sciences, HPC, Molecular Rotors
• Teaching: Physical Kinetics, Computational Chemistry, Parallel Computing, Artificial Intelligence

His recent publications highlight viscosity-sensitive BODIPY fluorophores for bioimaging, sigma-conjugated polymers for phosphorescence, and machine learning integration in quantum chemical models. He actively participates in HPC workshops and popularizes science through media appearances and educational initiatives.

• Supervision: Mentors 1 PhD student (R. Garbačauskas) and supervised 4 Master’s theses
• Expertise: National HPC Competences Center (2020–present), EuroCC Workshop co-instructor
• Science Communication: Café Scientifique speaker, children’s science educator