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MBN Explorer

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This is an old revision of this page, as edited by Sulfurboy (talk | contribs) at 22:15, 1 September 2017 (Sulfurboy moved page Draft:MBN Explorer to MBN Explorer: Publishing accepted Articles for creation submission (AFCH 0.9)). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.
MesoBioNano Explorer
Developer(s)MBN Research Center
Initial release2012; 13 years ago (2012)
Stable release
3.0 / March 31, 2017; 8 years ago (2017-03-31)
Written inC++
Operating systemCross-platform: Windows, Linux, macOS
Platformx86, x86-64
Available inEnglish
TypeMolecular dynamics, kinetic Monte Carlo simulations
LicenseProprietary
Websitewww.mbnexplorer.com

MBN Explorer (MesoBioNano Explorer) is a software package for molecular dynamics simulations, structure optimization and kinetic Monte Carlo simulations. It is designed for computational analysis of structure and dynamics of atomic clusters and nanoparticles, biomolecules and nanosystems, nanostructured materials, different states of matter and various interfaces.[1] The software has been developed by MBN Research Center.

History

MBN Explorer inherited the experience obtained on the development of the software package Cluster Searcher. It started around 2000 as a classical molecular dynamics code for simulating many-body systems interacting via the Morse and the Lennard-Jones potentials.[2] A variety of interatomic potentials and the possibility to combine a group of atoms into rigid blocks were introduced in 2005-2007. The first version of MBN Explorer was released in 2012 as a multipurpose computer code allowing to model different molecular systems of varied level of complexity.[3]

Features

MBN Explorer allows to combine different types of interatomic potentials to specify more than one interaction to a particular atom or a group of atoms. Advanced features of the program include flexible coarse graining, the possibility to perform relativistic molecular dynamics simulations[4] of ultra-relativistic particles in crystalline media, and simulation of irradiation-induced chemical transformations by means of irradiation-driven molecular dynamics.[5][6] The software is complemented with MBN Studio[7] - a graphical user interface that is used to set up calculations and analyze results of the simulations.

Projects and collaborations

MBN Explorer has been utilized in different research projects in the fields of materials science, nanotechnology and radiation damage:

  • ARGENT - Advanced Radiotherapy, Generated by Exploiting Nanoprocesses and Technologies[8]
    This is a multidisciplinary network project involving different research groups, academic and industrial partners. It is financed by the Seventh Framework Programme (FP7) of the EU.
  • PEARL - Periodically Bent Crystals for Crystalline Undulators[9]
    This is an international project supported by the Horizon 2020 Programme (H2020) of the EU.
  • Nano-IBCT - Nanoscale Insights into Ion-Beam Cancer Therapy[10]
  • VINAT - Theoretical analysis, design and virtual testing of biocompatibility and mechanical properties of titanium-based nanomaterials[11]

See also

References

  1. ^ "About MBN Explorer". mbnresearch.com. Retrieved 31 August 2017.
  2. ^ "MBN Explorer: A decade development now available for the community". Virtual Institute of Nano Films. Retrieved 31 August 2017.
  3. ^ "MesoBioNano Explorer - A universal program for multiscale computer simulations of complex molecular structure and dynamics". J. Comput. Chem. 33 (30): 2412–2439. 2012. doi:10.1002/jcc.23086. PMID 22965786. {{cite journal}}: Unknown parameter |authors= ignored (help)
  4. ^ "Simulation of ultra-relativistic electrons and positrons channeling in crystals with MBN Explorer". J. Comput. Phys. 252: 404–418. 2013. doi:10.1016/j.jcp.2013.06.028. {{cite journal}}: Unknown parameter |authors= ignored (help)
  5. ^ "Molecular dynamics for irradiation driven chemistry: application to the FEBID process". Eur. Phys. J. D. 70: 217. 2016. doi:10.1140/epjd/e2016-70283-5. {{cite journal}}: Unknown parameter |authors= ignored (help)
  6. ^ I.A. Solov'yov; A.V. Korol; A.V. Solov'yov (2017). Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer. Springer International Publishing. ISBN 978-3-319-56085-4. {{cite book}}: Cite has empty unknown parameter: |1= (help)
  7. ^ "About MBN Studio". mbnresearch.com. Retrieved 31 August 2017.
  8. ^ "FP7 ITN ARGENT Project".
  9. ^ "PEARL Project".
  10. ^ "COST Action Nano-IBCT".
  11. ^ "VINAT Project".
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