MBN Explorer
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| MesoBioNano Explorer | |
|---|---|
| Developer(s) | MBN Research Center |
| Initial release | 2012 |
| Stable release | 3.0
/ March 31, 2017 |
| Written in | C++ |
| Operating system | Cross-platform: Windows, Linux, macOS |
| Platform | x86, x86-64 |
| Available in | English |
| Type | Molecular dynamics, kinetic Monte Carlo simulations |
| License | Proprietary |
| Website | www |
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 of ultra-relativistic particles in crystalline media, and simulation of irradiation-induced chemical transformations by means of irradiation-driven molecular dynamics.[4] The software is complemented with MBN Studio[5] - 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[6]
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[7]
This is an international project supported by the Horizon 2020 Programme (H2020) of the EU. - Nano-IBCT - Nanoscale Insights into Ion-Beam Cancer Therapy[8]
- VINAT - Theoretical analysis, design and virtual testing of biocompatibility and mechanical properties of titanium-based nanomaterials[9]
See also
References
- ^ "About MBN Explorer". mbnresearch.com. Retrieved 31 August 2017.
- ^ "MBN Explorer: A decade development now available for the community". Virtual Institute of Nano Films. Retrieved 31 August 2017.
- ^ Solov'yov IA, Yakubovich AV, Nikolaev PV, Volkovets I, Solov'yov AV (2012). "MesoBioNano Explorer - A Universal Program for Multiscale Computer Simulations of Complex Molecular Structure and Dynamics". J Comput Chem. 33 (30): 2412–2439. doi:10.1002/jcc.23086. PMID 22965786.
- ^ Solov'yov, I.A.; Korol A.V; Solov'yov A.V. (2017). Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer. Springer International Publishing. ISBN 978-3-319-56085-4.
- ^ "About MBN Studio". mbnresearch.com. Retrieved 31 August 2017.
- ^ "FP7 ITN ARGENT Project". Retrieved 31 August 2017.
- ^ "PEARL Project". Retrieved 31 August 2017.
- ^ "COST Action "Nano-IBCT"". Retrieved 31 August 2017.
- ^ "VINAT Project". Retrieved 31 August 2017.