MBN Explorer: Difference between revisions

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== 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.<ref>{{cite web|title=MBN Explorer: A decade development now available for the community|url=http://www.vinf.eu/news/mbn-explorer-decade-development-now-available-community|publisher=Virtual Institute of Nano Films|accessdate=31 August 2017}}</ref> 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.<ref name="JCC_2012">{{cite journal |vauthorsauthors=I.A. Solov'yov IA, YakubovichA.V. AVYakubovich, NikolaevP.V. PVNikolaev, Volkovets I. Volkovets, A.V. Solov'yov AV |title= MesoBioNano Explorer - A Universaluniversal Programprogram for Multiscalemultiscale Computercomputer Simulationssimulations of Complexcomplex Molecularmolecular Structurestructure and Dynamicsdynamics |journal= J. Comput. Chem. |volume= 33 |issue= 30 |pages= 2412-2439 |year= 2012 |pmid= 22965786 |doi= 10.1002/jcc.23086}}</ref>
 
== Features ==
MBN Explorer allows to combine different types of [[Interatomic_potential|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-grained_modeling|coarse graining]], the possibility to perform relativistic molecular dynamics simulations<ref name="JCompPhys_2013">{{cite journal |vauthorsauthors=SushkoG.B. GBSushko, BezchastnovV.G. VGBezchastnov, I.A. Solov'yov IA, KorolA.V. AVKorol, Greiner W. Greiner, A.V. Solov'yov AV |title= Simulation of ultra-relativistic electrons and positrons channeling in crystals with MBN Explorer |journal= J. Comput. Phys. |volume= 252 |pages= 404-418 |year= 2013 |doi=10.1016/j.jcp.2013.06.028}}</ref> of [[Ultrarelativistic_limit|ultra-relativistic]] particles in crystalline media, and simulation of irradiation-induced chemical transformations by means of irradiation-driven molecular dynamics.<ref>{{cite namejournal |authors="Springer_2017"G.B. Sushko, I.A. Solov'yov, A.V. Solov'yov |title= Molecular dynamics for irradiation driven chemistry: application to the FEBID process |journal= Eur. Phys. J. D |volume= 70 |pages= 217 |year= 2016 |doi=10.1140/epjd/e2016-70283-5}}</ref><ref>{{cite book |title= Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer|last=Solov'yov |firstauthor1= I.A. Solov'yov |author2=Korol A.V. Korol |author3=Solov'yov A.V. Solov'yov |year= 2017 |publisher=Springer International Publishing |isbn= 978-3-319-56085-4 }}</ref>
The software is complemented with MBN Studio<ref>{{cite web|title=About MBN Studio|url=http://www.mbnresearch.com/mbn-studio|publisher=mbnresearch.com|accessdate=31 August 2017}}</ref> - a graphical user interface that is used to set up calculations and analyze results of the simulations.