Theses most similar to those of author Singh-Miller, Nicholas E. (Nicholas Edward)
Molecular-scale devices from first principles (2009) 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
Charge transport, configuration interaction and Rydberg states under density functional theory
Cheng, Chiao-Lun (2008)
- Advisor: Troy Van Voorhis
- Department of Chemistry
First-principles transition-metal catalysis : efficient and accurate approaches for studying enzymatic systems
Kulik, Heather J (2009)
- Advisor: Nicola Marzari
- Department of Materials Science and Engineering
- Advisor: Troy Van Voorhis
- Department of Chemistry
Atomistic and ab initio prediction and optimization of thermoelectric and photovoltaic properties
Chan, Maria Kai Yee (2009)
- Advisors: Gerbrand Ceder; John Joannopoulos
- Department of Physics
- Advisor: Troy Van Voorhis
- Department of Chemistry
Photovoltaic properties and size-pH phase stability of iron disulfide from density-functional theory
Sun, Ruoshi (2013)
- Advisor: Gerbrand Ceder
- Department of Materials Science and Engineering
A first principles computational study of ZnO/PbTiO₃ as a tunable catalyst for CO₂ conversion
Alawode, Babatunde (2015)
- Advisors: Alexie M. Kolpak; Jeffrey C. Grossman
- Department of Materials Science and Engineering; Department of Mechanical Engineering
Thermodynamics and kinetics of Mg intercalation for multivalent cathode applications
Gopalakrishnan, Sai Gautam (2017)
- Advisor: Gerbrand Ceder
- Department of Materials Science and Engineering
Design and optimization of colloidal quantum dot solids for enhanced charge transport and photovoltaics
Lee, Sangji (2016)
- Advisor: Jeffrey C. Grossman
- Department of Materials Science and Engineering