Theses most similar to those of author Kulik, Heather J
First-principles transition-metal catalysis : efficient and accurate approaches for studying enzymatic systems (2009) read it
- Advisor: F. Albert Cotton
- Department of Chemistry
- Advisor: Bernhardt L. Trout
- Department of Chemical Engineering
New perspectives on ab initio calculation and physical insights gained through linkage to continuum theories
Ismail-Beigi, Sohrab, 1971- (2000)
- Advisors: John D. Joannopoulos; Tomás A. Arias
- Department of Physics
AB initio theoretical studies of transition-metal, molecular, and photonic band-gap materials
Rappe, Andrew Marshall (1992)
- Advisor: John D. Joannopoulos
- Department of Chemistry
Exploring kinetics and thermodynamics in fast-ion conductors and hydrogen-storage materials using ab-initio molecular dynamics
Wood, Brandon C. (Brandon Christopher) (2007)
- Advisor: Nicola Marzari
- Department of Materials Science and Engineering
Merging quadratic programming with kernel smoothing for automated cluster expansions of complex lattice Hamiltonians
Okan, Osman Burak (2008)
- Advisor: Gerbrand Ceder
- Department of Materials Science and Engineering
The ground state of the spin-1/2 kagomé lattice antiferromagnet : neutron scattering studies of the zinc-paratacamite mineral family
Helton, Joel Strader (2009)
- Advisor: Young S. Lee
- Department of Physics
- Advisor: Nicola Marzari
- Department of Materials Science and Engineering
- Advisor: Troy Van Voorhis
- Department of Chemistry
- Advisor: Jeffrey C. Grossman
- Department of Materials Science and Engineering