Welcome to the Brenner Group!

The Brenner Group researches atomic-scale computer simulations to develop a fundamental understanding of many-body chemical dynamics in condensed phases, with an emphasis on technologically-important materials and processes. Specific areas of interest currently include molecule-surface collisions and thin film vapor deposition; energy transfer, friction, tribochemistry and their influence on the wear of sliding solid interfaces; shock-induced chemistry in solids; nanometer-scale structure and mechanical properties of grain boundaries in covalent materials; mechanisms of cross-linking and hardening of polymers via ion bombardment; and the development of new strategies for engineering nanometer-scale structures and devices.

Research Areas

Our research focuses on the characterization, design, and analysis of advanced materials using a virtual tool box of theory and modeling approaches that include density functional theory, tight binding models, large-scale molecular dynamics simulations, and hybrid atomic+continuum and meso-scale modeling techniques. These tools are applied to a wide range of materials that include:

  • fullerenes and nanotubes
  • diamond clusters and nanorods
  • advanced metal alloys
  • nanometer-scale composites
  • inorganic and bio-polymers
  • self-assembled monolayers
  • energetic materials
  • nitrides

About Professor Donald Brenner