This webpage introduces the main fields and topics of the ongoing research conducted by the MBN Research Center. The research fields are illustrated by cover page images of monographs and journal topical issues published by the MBN Research Center team. The key topics pursued in each research field are also presented. References to relevant publications can be found on the Publications page, as well as on the Monographs, Edited volumes, Journal publications, and Book chapters sub-pages of this website. MBN Explorer and MBN Studio, the universal and powerful software packages developed by the MBN Research Center, are widely used in state-of-the-art computational research in all of the research fields outlined below.
Atomic clusters and nanoparticles
Left: "Advances in Atomic and Molecular Physics at the Interfaces with the Natural Sciences, Technology and Medicine" (ed. A.V. Solov'yov) (World Scientific, 2025) URL: https://doi.org/10.1142/q0534
Right: Cover page of volume 35, issue 17 of the Journal of Computational Chemistry, highlighting the publication of the key reference article on the implementation of 3D kinetic Monte Carlo module in MBN Explorer. For details, see M. Panshenskov, I.A. Solov'yov, and A.V. Solov'yov, Efficient 3D kinetic Monte Carlo method for modeling of molecular structure and dynamics, J. Comput. Chem., vol. 35, pp. 1317-1329 (2014) URL: https://doi.org/10.1002/jcc.23613
• Atomic and molecular clusters, nanoparticles
- Atomic clusters - Molecular clusters - Finite nanosystems (fullerenes, endohedral atoms, coated and functionalised nanoparticles, etc.) - Deposited clusters and nanoparticles - Structure and dynamics of clusters and nanosystems
Left: "Advances in Atomic and Molecular Physics at the Interfaces with the Natural Sciences, Technology and Medicine" (World Scientific; ed. A.V. Solov'yov) Right: Cover page of volume 35, issue 17 of the Journal of Computational Chemistry, highlighting the publication of the key reference article on the implementation of 3D kinetic Monte Carlo module in MBN Explorer
Dynamics of biomolecular systems
Left: Topical issue "Nano-scale Insights into Ion-beam Cancer Therapy" of the European Physical Journal D (eds. A.V. Solov'yov, N. Mason, P. Limão-Vieira, and M. Smialek-Telega) URL: http://epjd.epj.org/component/toc/?task=topic&id=263
Right: Topical issue "1st Nano-IBCT Conference – Radiation Damage of Biomolecular Systems: Nanoscale Insights into Ion Beam Cancer Therapy" of the Journal of Physics: Conference Series (eds. B.A. Huber, Ch. Malot, A. Domaracka, and A.V. Solov'yov) J. Phys.: Conf. Ser., volume 373 (2012) URL: https://iopscience.iop.org/issue/1742-6596/373/1
• Dynamics of biomolecular systems
- Structural transitions in biomolecules - Biomolecular processes - Dynamics of DNA, RNA, proteins, etc. - Bio-nano systems - Nuclear magnetic resonance (NMR) - Radiobiological effects
Left: Topical issue "Nano-scale Insights into Ion-beam Cancer Therapy" of the European Physical Journal D (eds. A.V. Solov'yov, N. Mason, P. Limão-Vieira, and M. Smialek-Telega) Right: Topical issue "1st Nano-IBCT Conference – Radiation Damage of Biomolecular Systems: Nanoscale Insights into Ion Beam Cancer Therapy" of the Journal of Physics: Conference Series (eds. B.A. Huber, Ch. Malot, A. Domaracka, and A.V. Solov'yov)
MBN systems: virtual design, structure and properties
Left: "MBN Explorer and MBN Studio Tutorials: Version 5.0" (monograph by A. Verkhovtsev, I.A. Solov'yov, A.V. Korol, G.B. Sushko, and A.V. Solov'yov) MesoBioNano Science Publishing (2024); distributed by CreateSpace Independent Publishing Platform (2024) URL: https://www.amazon.de/MBN-Explorer-Studio-Tutorials-Version/dp/B0D8VZQYRF/
Right: Cover page of volume 33, issue 30 of the Journal of Computational Chemistry, highlighting publication of the key reference article on MBN Explorer, its main features and capabilities. For details, see I.A. Solov’yov, A.V. Yakubovich, P.V. Nikolaev, I. Volkovets, and A.V. Solov'yov, MesoBioNano Explorer - a universal program for multiscale computer simulations of complex molecular structure and dynamics, J. Comput. Chem., vol. 33, pp. 2412-2439 (2012) URL: https://doi.org/10.1002/jcc.23086
• MBN systems: virtual design, structure and properties
- Metallic, organic and inorganic nanomaterials - Nanoalloys composites, crystalline superlattices - Surface coatings, surface structure and material interfaces - Surface deposition, diffusion, growth, self-assembly and pattern formation - Nanotubes, nanowires, nanofractals, nanofilms, graphene, functional nanoparticles, etc - Nanoscale phase and structural transitions - Thermo-mechanical and tribological processes and properties, materials at extreme conditions - Irradiation-driven nanofabrication, irradiation-induced damages
Left: "MBN Explorer and MBN Studio Tutorials: Version 5.0" (monograph by A. Verkhovtsev, I.A. Solov'yov, A.V. Korol, G.B. Sushko, and A.V. Solov'yov) Right: Cover page of volume 33, issue 30 of the Journal of Computational Chemistry, highlighting publication of the key reference article on MBN Explorer
Collision and dynamical processes involving MBN systems
Right: "Latest Advances in Atomic Clusters Collision: Structure and Dynamics from the Nuclear to the Biological Scale" (eds. J.-P. Connerade and A.V. Solov'yov) Imperial College Press, London, UK (2008); distributed by World Scientific (2008) URL: https://doi.org/10.1142/p573
• Collision and dynamic processes involving MBN systems
- Collision processes involving clusters, nanoparticles, biomolecules, nanostructures and and materials - Fusion, fission and fragmentation - Collective electron excitations - Molecular association, dissociation, reactions - Atomic and molecular deposition and desorption processes - Particles propagation through a medium - Collision-induced medium effects
Left: "Dynamics of Systems on the Nanoscale" (eds. I.A. Solov'yov, A.V. Verkhovtsev, A.V. Korol, and A.V. Solov'yov) Right: "Latest Advances in Atomic Clusters Collision: Structure and Dynamics from the Nuclear to the Biological Scale" (eds. J.-P. Connerade and A.V. Solov'yov)
Multiscale modeling
Left: Cover page of volume 124, issue 13 of Chemical Reviews, highlighting the publication of a roadmap paper on multiscale theory, simulations, and experimental studies of condensed matter systems exposed to radiation. For details, see A.V. Solov'yov, A.V. Verkhovtsev, N.J. Mason, R.A. Amos, I. Bald, G. Baldacchino, B. Dromey, M. Falk, J. Fedor, L. Gerhards, M. Hausmann, G. Hildenbrand, M. Hrabovský, S. Kadlec, J. Kočišek, F. Lépine, S. Ming, A. Nisbet, K. Ricketts, L. Sala, T. Schlathölter, A.E.H. Wheatley, and I.A. Solov'yov, Condensed matter systems exposed to radiation: Multiscale theory, simulations, and experiment, Chemical Reviews, vol. 124, pp. 8014-8129 (2024) URL: https://doi.org/10.1021/acs.chemrev.3c00902
Right: "Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer" (monograph by I.A. Solov'yov, A.V. Korol and A.V. Solov'yov) (Springer International Publishing, 2017) URL: http://www.springer.com/gp/book/9783319560854
• Multiscale modelling
- Quantum Mechanics/Molecular Dynamics modelling - Molecular Dynamics/Monte Carlo modelling - Multiscale approach to the physics of radiation damage - Clustering and self-organisation, nanofractals - Morphological transitions - Irradiation-driven chemical transformations of molecular systems
Left: Cover page of volume 124, issue 13 of Chemical Reviews, highlighting the publication of a roadmap paper on multiscale theory, simulations, and experimental studies of condensed matter systems exposed to radiation Right: "Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer" (Springer monograph by I.A. Solov'yov, A.V. Korol and A.V. Solov'yov)
Novel and emerging technologies: computational approach
• Novel and emerging technologies: computational approach
- Nanotechnologies - Biotechnologies and medicine - Material technologies - Radiation and space technologies - Plasma technologies - Computational technologies
Left: "Nanoscale Insights into Ion-Beam Cancer Therapy" (Springer; ed. A.V. Solov'yov) Right: "Novel Light Sources Beyond Free Electron Lasers" (Springer monograph by A.V. Korol and A.V. Solov'yov)
Theoretical and computational physics methods
Left: "Channeling and Radiation in Periodically Bent Crystals" (monograph by A.V. Korol, A.V. Solov'yov and W. Greiner) (Springer Series on Atomic, Optical, and Plasma Physics, vol. 69, Springer-Verlag Berlin Heidelberg, 2014) URL: http://www.springer.com/la/book/9783642549328
Right: "Polarization Bremsstrahlung" (monograph by A.V. Korol and A.V. Solov'yov) (Springer Series on Atomic, Optical, and Plasma Physics, vol. 80, Springer-Verlag Berlin Heidelberg, 2014) URL: http://www.springer.com/gp/book/9783642452239
• Theoretical and computational physics methods
- Atomic, molecular and optical physics - Computational physics and chemistry - Collision theory - Many-body theory - Quantum electrodynamics - Condensed matter physics - Biophysics
Left: "Channeling and Radiation in Periodically Bent Crystals" (Springer Series on Atomic, Optical, and Plasma Physics; monograph by A.V. Korol, A.V. Solov'yov and W. Greiner) Right: "Polarization Bremsstrahlung" (Springer Series on Atomic, Optical, and Plasma Physics; monograph by A.V. Korol and A.V. Solov'yov)
Left: "Advances in Atomic and Molecular Physics at the Interfaces with the Natural Sciences, Technology and Medicine" (ed. A.V. Solov'yov)
Left: Topical issue "Nano-scale Insights into Ion-beam Cancer Therapy" of the European Physical Journal D (eds. A.V. Solov'yov, N. Mason, P. Limão-Vieira, and M. Smialek-Telega)
Left: "MBN Explorer and MBN Studio Tutorials: Version 5.0" (monograph by A. Verkhovtsev, I.A. Solov'yov, A.V. Korol, G.B. Sushko, and A.V. Solov'yov)
Left: "Dynamics of Systems on the Nanoscale" (eds. I.A. Solov'yov, A.V. Verkhovtsev, A.V. Korol, and A.V. Solov'yov)
Left: Cover page of volume 124, issue 13 of Chemical Reviews, highlighting the publication of a roadmap paper on multiscale theory, simulations, and experimental studies of condensed matter systems exposed to radiation.
Left: "Nanoscale Insights into Ion-Beam Cancer Therapy" (ed. A.V. Solov'yov)
Left: "Channeling and Radiation in Periodically Bent Crystals" (monograph by A.V. Korol, A.V. Solov'yov and W. Greiner) (Springer Series on Atomic, Optical, and Plasma Physics, vol. 69, Springer-Verlag Berlin Heidelberg, 2014)