Abstract
MBN Explorer enables simulations of matter being in the crystalline, liquid, gaseous phase states, as well as different interphases, and also permits studying numerous physical and chemical phenomena in MBN Systems. This chapter introduces general aspects of the computational approach based on MBN Explorer, the type of computational problems that can be addressed with the use of this software as well as of the multi-functional toolkit MBN Studio. This chapter describes a few basic examples of how computational studies can be set up using MBN Explorer and MBN Studio. It gives an overview of a large library of examples and test calculations for different types of materials, MBN systems, their properties and processes that is available for the users of MBN Explorer and MBN Studio.
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© 2017 Springer International Publishing AG
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Solov’yov, I.A., Korol, A.V., Solov’yov, A.V. (2017). Computational Modelling of MBN Systems. In: Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer. Springer, Cham. https://doi.org/10.1007/978-3-319-56087-8_3
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DOI: https://doi.org/10.1007/978-3-319-56087-8_3
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Publisher Name: Springer, Cham
Print ISBN: 978-3-319-56085-4
Online ISBN: 978-3-319-56087-8
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