MBN Explorer: Difference between revisions

Revision as of 10:19, 9 September 2017

Revision as of 11:04, 23 September 2017

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| website = {{URL|www.mbnexplorer.com}}

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'''MBN Explorer''' ('''MesoBioNano Explorer''') is a software package for [[Molecular dynamics|molecular dynamics]] simulations, [[Energy_minimization|structure optimization]] and [[Kinetic_Monte_Carlo|kinetic Monte Carlo]] simulations. It is designed for [[Multiscale_modeling|multiscale computational analysis]] of structure and dynamics of [[Cluster_(physics)|atomic clusters]] and [[Nanoparticle|nanoparticles]], [[Biomolecule|biomolecules]] and nanosystems, nanostructured materials, different states of matter and various interfaces.<ref>{{cite web|title=About MBN Explorer|url=http://www.mbnresearch.com/get-mbn-explorer-software|publisher=mbnresearch.com|accessdate=31 August 2017}}</ref> The software has been developed by MBN Research Center.

== History ==

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== Features ==

MBN Explorer allowsadopts to combine different types ofa [[Interatomic_potentialMultiscale_modeling|interatomicmultiscale potentialsmodeling]] toapproach. specifyIt more than one interactionallows to a particular atom or a group of atoms. Advanced features ofstudy the program include flexible [[Coarse-grained_modeling|coarse graining]], the possibility to perform relativistic molecular dynamics simulations<ref>{{cite journal |authors=G.B. Sushko, V.G. Bezchastnov, I.A. Solov'yov, A.V. Korol, W. Greiner, A.V. Solov'yov |title= Simulation of ultra-relativisticmolecular electronssystems andon positronsmuch channelinglarger intime crystalsscales withthat MBNcan Explorerbe |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]] particlesreached in crystalline media, and simulation of irradiation-induced chemical transformations by means of irradiation-drivenconventional molecular dynamics. simulations<ref>{{cite journal |authorsname=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"MBN_Springer_2017">{{cite book |title= Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer||author1=I.A. Solov'yov |author2=A.V. Korol |author3=A.V. Solov'yov |year= 2017 |publisher=Springer International Publishing |isbn= 978-3-319-56085-4 }}</ref>. The software 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 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, construct various molecular systems, and analyze results of the simulations.

* the possibility to perform relativistic molecular dynamics simulations<ref>{{cite journal |authors=G.B. Sushko, V.G. Bezchastnov, I.A. Solov'yov, A.V. Korol, W. Greiner, A.V. Solov'yov |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,

* simulation of irradiation-induced chemical transformations by means of irradiation-driven molecular dynamics.<ref>{{cite journal |authors=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>.

The software is complemented with MBN Studio<ref name="MBN_Springer_2017" /><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, construct various molecular systems, and analyze results of the simulations.

== Projects and collaborations ==

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== See also ==

* [[Comparison_of_software_for_molecular_mechanics_modeling|Comparison of software for molecular mechanics modeling]]

* [[List_of_software_for_nanostructures_modeling|List of software for nanostructures modeling]]

* [[NAMD]]

* [[GROMACS]]