1. Application of Reactive Molecular Dynamics in Biomaterial Science and Computational Biology Open Access Author: Golkaram, Mahdi Title: Application of Reactive Molecular Dynamics in Biomaterial Science and Computational Biology Graduate Program: Mechanical Engineering Keywords: Reactive Molecular DynamicsComputational BiologyProtein DenaturationGraphene Oxide Toxicity File: Download LKGO.movDownload MY_Thesis_Final.pdf Committee Members: Adrianus C Van Duin, Thesis Advisor/Co-Advisor
2. Reaxff And eReaxff Reactive Force Field Development And Applications To Energy Storage Interfaces Open Access Author: Hossain, Md Jamil Title: Reaxff And eReaxff Reactive Force Field Development And Applications To Energy Storage Interfaces Graduate Program: Mechanical Engineering (PHD) Keywords: ReaxFFeReaxFFReactive Force FieldReactive Molecular DynamicsComputational ChemistryEnergy StorageInterfacesLithium ion BatterySolid Electrolyte InterphaseSolid OxideElectrocatalysisgrapheneElectron ConductionAccelerated Molecular DynamicsParallel Replica DynamicsCollective Variable Hyperdynamics File: Download PhD_Dissertation_Md_Jamil_Hossain.pdf Committee Members: Donghai Wang, Major Field MemberChao-Yang Wang, Major Field MemberMichael Janik, Outside Unit & Field MemberAdri van Duin, Chair & Dissertation AdvisorDaniel Haworth, Professor in Charge/Director of Graduate Studies
