TCBG Seminar

MBN Explorer – A Universal Program For Multiscale Simulation Of Complex Molecular Structure and Dynamics

Dr. Ilia Solov'yov
Beckman Postdoctoral Fellow, Theoretical and Biophysical Group
University of Illinois Urbana-Champaign
Urbana, IL

Monday, August 27, 2012
3:00 pm (CT)
3269 Beckman Institute


We report on the public release of the software package MBN Explorer ( MBN Explorer is a multi-purpose computer code designed to study molecular systems of various degrees of complexity. A broad variety of interatomic potentials implemented in the MBN Explorer allows simulating the structure and dynamics of different molecular systems, such as atomic clusters, fullerenes, nanotubes, proteins, DNA, composite systems, nanofractals, etc. I will present an overview about the capabilities of the program and its computational efficiency. The following recent applications of MBN Explorer for diverse scientific problems will be highlighted: • Monte-Carlo Simulation of fractal growth and post-growth evolution. • Growth and mechanical properties of fullerene-based nanowires. • Laser-induced acoustic desorption of lysine amino acids from nickel foil. • Nanoindentation process in nickel and nickel-titanium alloys. MBN Explorer is free of charge for academic institutions and can be downloaded from the website upon the registration.

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