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Event Detail Information

Event Detail Information

Theoretical and Computational Biophysics "MBN Explorer ' A Universal Program For Multiscale Simulation Of Complex Molecular Structure and Dynamics"

Speaker Dr. Ilia Solov'yov, University of Illinois Urbana-Champaign, Urbana, IL
Date Aug 27, 2012
Time 3:00 pm  
Location 3269 Beckman Institute, 405 N. Mathews Ave
Sponsor Klaus Schulten
Contact Nancy Mallon
Phone 244-1586
Event type Seminar
Views 3385
We report on the public release of the software package MBN Explorer (www.mbnexplorer.com). 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 http://www.mbnexplorer.com/ upon the registration.