Biographical sketch for Dr. Adrianus Cornelis Theodorus (Adri) van Duin
Academic and professional history:
1987-1991 Chemistry study at the University of Amsterdam, the Netherlands. Obtains Drs-title (Dutch equivalent of MSc) for graduation project on correlation of bulk and surface metal oxide thermodynamics at the Chemical Technology group.
1991-1996 PhD-research at the Delft University of Technology, the Netherlands, on the development and organic geochemical applications of a hydrocarbon and carbocation empirical force field.
1996-1997 Research Associate at the University of Newcastle upon Tyne, United Kingdom. Research focuses on simulating oil/water/rock partitioning of petroleum conpounds.
1997-1999 Marie Curie Research Fellowship at the University of Newcastle upon Tyne, United Kingdom. Research focuses on various applications of computational chemistry to organic geochemical research.
1999-2002 Royal Society Fellowship at the University of Newcastle upon Tyne, United Kingdom. Research focuses on two directions, (1) development of reactive force fields, in collaboration with the Materials Simulation Center (MSC) at the California Institute of Technology, and (2) various applications of computational chemistry to organic geochemical research (oil/water/rock partitioning simulations, biomarker stability, prediction of D/L protein transformations).
2003-current Director of Force Field and Simulation Technology at MSC, California Institute of Technology. Research focuses on development and application of reactive force fields. Current topics include developing reactive potentials for transition metals, proteins and various other systems and application of these and existing reactive force field methods to the study of reactive processes in a wide range of materials, including all-carbon systems (buckyball/nanotubes), high-energy materials (RDX/HMX), catalysis (enzymes and transition metal/metal oxides) and semiconductors (SiO/SiN/Si).