Dr. Adri van Duin
Professor, Department of Mechanical and Nuclear Engineering
Pennsylvania State University
Provides world class expertise in Kinetics, chemical reaction network and mechanism analysis, and the Atomistic and Molecular computer simulations of chemical reaction systems as well as development and application of reactive force fields (ReaxFF). These developments encompass a wide range of materials, including hydrocarbons, all-carbon materials, nitramines, proteins, semiconductors and transition metals. Fields of application include catalysis, combustion, ceramics, high-energy- and biomaterials. Substantial experience in multiscale (QM/FF/mesoscale) modeling of diagenesis and non-reactive flow of organic compounds in the subsurface and related geological, environmental, and archaeological applications.