MesoBioNano Explorer (MBN Explorer) is a versatile software package for advanced multiscale simulations of the structure and dynamics of complex molecular MBN systems. MBN Explorer has many unique features and a wide range of applications in physics, chemistry, biology, materials science, and industry. It is suitable for structure optimisation, classical non-relativistic and relativistic molecular dynamics (MD), Euler dynamics, reactive and irradiation-driven molecular dynamics (RMD and IDMD) simulations, as well as stochastic dynamics or Monte Carlo (MC) simulations of various randomly moving MBN systems or processes. These algorithms, together with a broad variety of interatomic potentials implemented in MBN Explorer, enable its application to a wide range of molecular systems of different types, such as nano- and biological systems, composite/hybrid, nanostructured materials, gases, plasmas, liquids, solids and their interfaces, with sizes ranging from atomic to mesoscopic. An important feature of MBN Explorer is its ability to study the thermomechanical, chemical and radiation-induced transformations in all of the above systems, which is needed for a wide range of industrial applications and provides valuable modelling support for novel and emerging technologies.
MBN Studio is a special multitasking software toolkit with a graphical user interface for MBN Explorer. It helps to set up calculations with MBN Explorer, monitor their progress and examine the calculation results. MBN Studio can be utilised for any type of calculations supported by MBN Explorer, i.e. single-point energy calculations, structure optimisation calculations, as well as molecular dynamics (non-relativisic, relativistic, Euler, reactive, irradiation-driven), and stochastic dynamics simulations. The graphical utility allows visualisation of selected inputs and outputs. Apart from that, MBN Studio has a number of built-in tools allowing the calculation and analysis of specific system characteristics. Examples include diffusion coefficients of various molecular species, heat capacities and melting temperatures, radial distribution function, etc. A special modelling plug-in allows the construction of a wide variety of molecular systems composed of arbitrary atomic and molecular constituents.
Inquiries about the prices for the current versions of MBN Explorer and MBN Studio can be submitted to team@mbnresearch.com
Accessing the trial version of MBN Explorer and MBN Studio
The free trial version of the MBN Explorer and MBN Studio software is distributed at the tutorials organised by the MBN Research Center on a regular basis. To obtain it on such occasions, follow these steps:
(1) Register here
(2) Once your registration request has been approved, you will receive an automatic email confirming this. After that, you will need to: (i) Log in to your account on the MBN Research Center website. (ii) Read and accept the licence terms and conditions. The corresponding link will be sent to you in a separate email and will also become accessible upon logging in via the Free trial version item in the About MBN Explorer menu on the left-hand side of the screen. (iii) Fill in and submit your software access request.
(3) Upon acceptance of your software access request by the MBN Research Center team, you will receive by email an initialisation key and a link to the webpage with the free trial version of the software and Tutorial examples.
If you have any questions concerning the software access, please do not hesitate to contact us: team@mbnresearch.com