MBN Explorer: A decade development now available for the community

MBN Explorer is a multiscale molecular dynamics computer package that includes the possibility to perform, structure optimization, single point energy calculations, molecular dynamics simulations and random walk dynamics. It contains a broad variety of model potentials and allows for their flexible use.

Early development of MBN Explorer started in 2000 with the compilation of a code to simulate many-bodies systems interacting via the Morse and the Lennard-Jones potentials. Molecular dynamic simulation and single point energy calculation was introduced in 2005-2007 together with a growing variety of interatomic potentials  and the possibility to freeze a group of atoms in rigid blocks. In parallel, efforts from professional developers have been spent to improve the code accessibility. The current release of MBN Explorer is indeed the heritage of more than a decade development. Tested by several research groups worldwide, the molecular dynamic software is referenced in Journal of Computational Chemistry (2012).

MBN Explorer package allows to model molecular systems of varied level of complexity. Particularly suitable to compute system's energy, to optimize molecular structure, as well as to consider the molecular and random walk dynamics, MBN Explorer allows to use a broad variety of interatomic potentials, to model different molecular systems, such as atomic clusters, fullerenes, nanotubes, polypeptides, proteins, DNA, composite systems, nanofractals, etc. Despite its universality, the computational efficiency of MBN Explorer is comparable, and in some cases even higher, than the computational efficiency of other software packages.

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