Molecular Dynamics of Metallic Nanoparticles

Charles F. Vardeman II

Department of Chemistry and Biochemistry

University of Notre Dame

March 14, 2008


In collaboration with other research groups at the University of Notre Dame, one of my primary research topics is the structure and dynamics of nanoparticles containing Group IB elements. Molecular dynamics techniques are used to study the structural and dynamic properties of nanoparticles that may not be easily obtainable experimentally. All graphics were generated from real simulation data using POV-Ray, Grace, and Amira.  Simulations were carried out using the Notre Dame molecular dynamics package OOPSE.[1] This site may be navigated by the outline at the top of each page or by the outline below. A copy of the presentation from the 2008 CRC Workshop on Scientific Computing may be obtained here.