Quantum and classical phenomena in biology and nanophysics

Welcome to the QuantBioLab website

The Quantum Biology and Nanophysics research group was established at the University of Southern Denmark (SDU) in October 2013 and is headed by Ilia A. Solov'yov.

Our research interests cover a broad range of questions on theory of biomolecules and smart inorganic materials. Of particular interest are those biological processes that trigger energy conversion into forms that are usable for chemical transformations and are quantum mechanical in nature. Such processes involve chemical reactions, light absorption, formation of excited electronic states, transfer of excitation energy, and transfer of electrons and protons in chemical processes. Equally challenging are problems in nanophysics which focus on potential applications in nano- technology, material science and medicine.


We present a multipurpose computer code MBN Explorer which allows to model molecular systems of varied level of complexity. In particular, MBN Explorer is suited to compute energies, to optimize molecular structures as well as to consider the molecular and random walk dynamics. MBN Explorer allows to use a broad variety of interatomic potentials, to model atomic clusters, fullerenes, nanotubes, polypeptides, proteins, DNA, composite systems, nanofractals, etc. Despite the universality, the computational efficiency of MBN Explorer is comparable (and in some cases even higher) than the computational efficiency of other software packages, making MBN Explorer a possible alternative to the available codes.

  1. Mikhail Panshenskov, Ilia A. Solov'yov, Andrey V. Solov'yov. Efficient 3D Kinetic Monte Carlo Method for Modeling of Molecular Structure and Dynamics, Journal of Computational Chemistry 35 pp.1317-1329 (2014). Paper selected for a cover
  2. Ilia A. Solov'yov, Andrey V. Solov'yov, Nouari K\'ebaili, Albert Masson, Catherine Br\'echignac. Thermally induced morphological transition of silver fractals, Physica Status Solidi B 251 pp.609-622 (2014).
  3. Ilia A. Solov'yov, Tatiana Domratcheva, Klaus Schulten. Separation of photo-induced radical pair in cryptochrome to a functionally critical distance, Scientific Reports 4 pp.3845 (2014).