1. Applications of Molecular Dynamics, Monte Carlo and Metadynamics Simulations using ReaxFF Reactive Force Fields to Fluid/Solid Interfaces Open Access Author: Raju, Muralikrishna Title: Applications of Molecular Dynamics, Monte Carlo and Metadynamics Simulations using ReaxFF Reactive Force Fields to Fluid/Solid Interfaces Graduate Program: Physics Keywords: Computational ChemistryReaxFF Reactive Force FieldsFluid/Solid InterfacesTitania-Water InteractionsLi/C ReaxFF File: Download Muralikrishna_Raju_Dissertation.pdf Committee Members: Kristen Ann Fichthorn, Committee Chair/Co-ChairAdrianus C Van Duin, Committee Chair/Co-ChairJorge Osvaldo Sofo, Committee MemberMilton Walter Cole, Committee MemberJames David Kubicki, Committee Member
