- Materials Simulation Laboratory (MSL)
The Materials Simulation Laboratory of the Department of Physics,
University of South Florida , (MSL) was established in 2002 by Prof. Ivan Oleynik of that University. The MSL is dedicated to solving challenging problems incondensed matter andmaterials physics usingcomputers as research tools.Research efforts at MSL focus on understanding fundamental atomic-scale properties of materials using a wide range of atomic-scale modeling techniques. These methods include first-principles
density functional theory , tight-binding, classical interatomic potentials, andmolecular dynamics simulations.Structural, mechanical, electronic, and transport properties of advanced materials such as
diamond ,silicon , organicthin films and singlemolecules ,metal /oxide andmetal /organicinterfaces , and energeticmolecular crystal s are of particular interest. All the problems addressed have a tight connection with experimental work being performed by MSL collaborators around the world. Although the dynamical interplay betweenexperiment andtheory is the key to success in developing an understanding of the fundamental physics and chemistry of materials, the goal is to use the powerful arsenal of atomic-scale modeling and analytic techniques to attack the problems that are difficult or impossible to study by experiment. For example, the behavior of matter at extreme conditions such as shock compression of materials is studied bymolecular dynamics which allows us to investigate the phenomena at sub-nanometer length and sub-picosecond time scales. These time and length scales can not be experimentally studied at the same level of detail as done by theory/modeling. Research projects are currently conducted within the following key areas:*Simulations of matter at extreme conditions
*Molecular electronics
*Spintronics
*Tunneling incondensed matter andmolecular systems
*Development of methods for large scale simulations of materialsExternal links
*The [http://msl.cas.usf.edu Materials Simulation Laboratory] web site.
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