Alexander Voityuk

Universitat de Girona

Experimental Sciences & Mathematics

Dr. Alexander Voityuk joined the  Institut de Química Computacional at the Universidad de Girona as an ICREA research professor in May 2004. 1973-1978 Master degree with honor NSU, Russia. Speciality: Chemistry, Specialization: Physical and Inorganic chemistry. 1979-1983 PhD in Physical Chemistry (Institute of Inorganic Chemistry, Academy of Sciences, USSR ). 1985-1992  Associate Professor in Physical Chemistry and  Quantum Chemistry group leader at the Institute of Bioorganic Chemistry (Novosibirsk, Russia). Before obtaining his ICREA position in 2004, he was a senior research associate at the University of Zurich, Switzerland (1992-1995), Technical University of Munich (1995-2000) and Max-Planck-Institute of Quantum Optics, Garching, Germany (2000-2004). He has published >170  articles with more than 3500 total citations in the field of quantum chemistry and computational modeling of charge transfer in biomolecules and organic materials.

Research interests

Electron transfer (ET) and excitation energy transfer (EET) are  important processes in biochemistry and material science. The main area of my research is the development of theoretical and computational tools to explore ET and EET in molecular systems and their application to  biomolecules and organic materials to understand  underlying mechanisms that control the charge and exciton migration in the systems. Semiempirical methods, the development of computer codes and simulation of ET and EET in DNA and related systems are of special interest.

Selected publications

- L. Blancafort & A. A. Voityuk, 'Thermally Induced Hopping Model for Long-Range Triplet Excitation Energy Transfer in DNA', Physical Chemistry Chemical Physics, 2018, 20, 4997-5000

- M. Corbella, A. A. Voityuk, C. Curutchet. How abasic sites impact hole transfer dynamics in GC-rich DNA sequences. Physical Chemistry Chemical Physics 2018, 20, 23123 - 23131.

- A. A. Voityuk, A. J. Stasyuk & S. F. Vyboishchikov, 'A simple model for calculating atomic charges in molecules', Physical Chemistry Chemical Physics 2018, 20, 36, 23328 - 23337.

- A. J. Stasyuk, M. Solà & A. A. Voityuk, 'Reliable charge assessment on encapsulated fragment for endohedral systems', Scientific Reports, 2018, 8, 2882.

- A. J. Stasyuk, O. A. Stasyuk, S. Filippone, N. Martin, M. Solà & A. A. Voityuk, 'Stereocontrolled photoinduced electron transfer in metal-fullerene hybrids', Chemistry: A European Journal, 2018, 24, 13020 – 13025.