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Alexander Voityuk

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

– S. F. Vyboishchikov, A. A. Voityuk 2021, ‘Solvation Free Energies for Aqueous and Nonaqueous Solutions Computed Using PM7 Atomic Charges‘. J. Chem. Inf. Model. 61, N 9, 4544–4553.

– Liosi, Korinne; Stasyuk, Anton J.; Masero, Fabio; Voityuk, Alexander A.; Nauser, Thomas; Mougel, Victor; Sola, Miquel; Yamakoshi, Yoko 2021, ‘Unexpected Disparity in Photoinduced Reactions of C-60 and C-70 in Water with the Generation of O-2(center dot-) or O-1(2)’, Jacs Au, 1, 10, 1601 – 1611.

– Besalu-Sala, Pau; Voityuk, Alexander A.; Luis, Josep M.; Sola, Miquel 2021, ‘Evaluation of charge-transfer rates in fullerene-based donor-acceptor dyads with different density functional approximations’, Physical Chemistry Chemical Physics, 23, 9, 5376 – 5384.

– O. A. Stasyuk, A. J. Stasyuk, M. Solà & A. A. Voityuk, ‘Photoinduced electron transfer in Nano-Saturn complexes of fullerene‘. Phys. Chem. Chem. Phys., 23, 2126 – 2133.

– O. A. Stasyuk, A. J. Stasyuk, M. Solà, A. A. Voityuk. ‘[10]CPP-based inclusion complexes of charged fulleropyrrolidines. Effect of the charge location on the photoinduced electron transfer’. Chem. Eur. J. 2021, 27, 8737-8744.

– S. F. Vyboishchikov, A. A. Voityuk. Fast non-iterative calculation of solvation energies for water and non-aqueous solvents. J. Comput. Chem. 2021, 42,  1184-1194.

– A. J. Stasyuk, O. A. Stasyuk, M. Solà, A. A. Voityuk. How do defects in carbon nanostructures regulate the photoinduced electron transfer processes? The case of phenine nanotubes. ChemPhysChem 2021, 22, 1178-1186.

– Stasyuk, A. J.; Stasyuk, O. A.; Sola, M.; Voityuk, A. A. 2021, ‘Photoinduced electron transfer in mechanically interlocked suit[3]ane systems‘, Journal Of Materials Chemistry C, 9, 9436-9445.

– Dao, Nguyen Thuan; Haselsberger, Reinhard; Khuc, Mai Thu; Phan, Anh Tuan; Voityuk, Alexander A.; Michel-Beyerle, Maria-Elisabeth 2021, ‘Photophysics of DFHBI bound to RNA aptamer Baby Spinach’, Scientific Reports, 11, 7356.

ICREA Memoir 2021