{"bio" "" "city" "" "country" "US" "department" "" "description-of-work" "Charge-Optimized Many-Body Potentials (COMB): Developed the 2nd generation formalism and implemented in LAMMPS. Implemented the 3rd generation in LAMMPS.\r\nReactive Force Field (ReaxFF): Parameterized for a couple of organic/inorganic energetic materials.\r\n\r\nMaterials\r\nCOMB: 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\r\nReaxFF: Ammonium Nitrate; HNS; CL20." "email" "rshan@materialsdesign.com" "first-name" "Ray" "institution" "Materials Design, INC; Sandia National Laboratories, University of Florida" "kim-items-contributor" [] "kim-items-developer" [] "kim-items-implementer" [] "last-name" "Shan" "link-rel-canonical-url" "https://openkim.org/profile/rshan" "location-merged" "USA" "openkim-user-id" #uuid "913938bd-2572-491b-bdd6-df6c53fe5402" "page-title" "Ray Shan" "profile-picture" "" "published-name" "Ray Shan" "state" "" "title" "Dr." "username" "rshan" "website" ""}