Improved generation of large-scale atomistic representations and pyrolysis/combustion simulations of Illinois coal and coal char using the Reaxff reactive force field
Jonathan P Mathews, Dissertation Advisor/Co-Advisor Jonathan P Mathews, Committee Chair/Co-Chair Ljubisa R Radovic, Committee Member Caroline Elaine Clifford, Committee Member Robert John Santoro, Committee Member Adrianus C Van Duin, Committee Member
Development Of A Reaxff Reactive Force Field For Titanium Dioxide/ Water Systems And Its Applications To Etching, Nanoparticles With Organic Solvents And Ion Adsorptions On Nanocrystalline Surfaces
Adrianus C Van Duin, Dissertation Advisor/Co-Advisor James David Kubicki, Committee Chair/Co-Chair Richard A Yetter, Committee Member Donghai Wang, Committee Member Jorge Osvaldo Sofo, Committee Member
Adrianus C Van Duin, Dissertation Advisor/Co-Advisor Zoubeida Ounaies, Committee Member Randy Lee Vander Wal, Committee Member Lasse Jensen, Committee Member
Development and Application of the ReaxFF Potential for Heterogeneous Catalysis and Metal Oxidation: Toward the Dynamic Sampling of Large Free Energy Surface
Adrianus C Van Duin, Dissertation Advisor/Co-Advisor Adrianus C Van Duin, Committee Chair/Co-Chair Michael John Janik, Committee Member Donghai Wang, Committee Member Lasse Jensen, Committee Member
Michael John Janik, Dissertation Advisor/Co-Advisor Michael John Janik, Committee Chair/Co-Chair Adrianus C Van Duin, Committee Chair/Co-Chair Robert Martin Rioux Jr., Committee Member Scott Thomas Milner, Committee Member
Adrianus C Van Duin, Dissertation Advisor/Co-Advisor Adrianus C Van Duin, Committee Chair/Co-Chair Md Amanul Haque, Committee Member Liming Chang, Committee Member Seong Han Kim, Committee Member James David Kubicki, Special Member
ATOMISTIC-SCALE INVESTIGATION OF THE GROWTH KINETICS OF ALUMINUM OXIDE LAYERS ON ALUMINUM NANOPARTICLES AND GERMANIUM-BASED SEMICONDUCTORS USING THE REAXFF REACTIVE FORCE FIELD
Adri C.T. van Duin, Dissertation Advisor/Co-Advisor Adri C.T. van Duin, Committee Chair/Co-Chair Yuan Xuan, Committee Member Richard A Yetter, Committee Member Roman Engel-Herbert, Outside Member
Adrianus C Van Duin, Dissertation Advisor/Co-Advisor Adrianus C Van Duin, Committee Chair/Co-Chair Donghai Wang, Committee Member Hosam Kadry Fathy, Committee Member Lasse Jensen, Outside Member
