Theses most similar to those of author Lu, Aiyan
Density functional theory study of the conductivity of the biphenalenyl radical dimer (2007) read it
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
Charge transport, configuration interaction and Rydberg states under density functional theory
Cheng, Chiao-Lun (2008)
- Advisor: Troy Van Voorhis
- Department of Chemistry
- Advisor: Troy Van Voorhis
- Department of Chemistry
Theoretical investigation of solar energy conversion and water oxidation catalysis
Wang, Lee-Ping (2011)
- Advisor: Troy Van Voorhis
- Department of Chemistry
Assessment of the accuracy of DFT (Density Functional Theory) for the photochromic behavior of dihydroazulene (DHA)
Ramachandran, Arathi (2012)
- Advisor: Jeffrey C. Grossman
- Department of Materials Science and Engineering
Theoretical investigations of the electronic processes in organic photovoltaics
Yost, Shane Robert (2013)
- Advisor: Troy Van Voorhis
- Department of Chemistry
- Advisor: John D. Joannopoulos
- Department of Physics
- Advisor: Alexie Kolpak
- Department of Mechanical Engineering