Username: rshan Title: Dr. First Name: Ray Last Name: Shan Published Name: Ray Shan OpenKIM User ID: 913938bd-2572-491b-bdd6-df6c53fe5402 Email: rshan@materialsdesign.com Institution: Materials Design, INC; Sandia National Laboratories, University of Florida Department: Country: US Website: Biography: Description of Work: Charge-Optimized Many-Body Potentials (COMB): Developed the 2nd generation formalism and implemented in LAMMPS. Implemented the 3rd generation in LAMMPS. Reactive Force Field (ReaxFF): Parameterized for a couple of organic/inorganic energetic materials. Materials COMB: Si-SiO2, N-C-O-H, Zr-ZrO2-O2-H2-H20, U-UO2, Hf-HfO2, Ti-Tin-TiC-TiO2, Cu-CuO, Ni-Al, Zn-O ReaxFF: Ammonium Nitrate; HNS; CL20. Contributor of the following OpenKIM content: Developer of the following OpenKIM content: Implementer of the following OpenKIM content: