Theses most similar to Electron transfer in solution : nonadiabatic dynamics and applications to catalysis (Mavros, Michael G. (Michael George); 2016) read it
Theory and simulation of amorphous organic electronic devices
Madigan, Conor (Conor Francis), 1978- (2006)
- Advisor: Vladimir BuloviÄ
- Department of Electrical Engineering and Computer Science
- Advisor: Gerbrand Ceder
- Department of Materials Science and Engineering
Theoretical investigation of solar energy conversion and water oxidation catalysis
Wang, Lee-Ping (2011)
- Advisor: Troy Van Voorhis
- Department of Chemistry
- Advisor: Troy Van Voorhis
- Department of Chemistry
Excited states and electron transfer in solution : models based on density functional theory
Kowalczyk, Timothy Daniel (2012)
- 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
A multiscale study of atomic interactions in the electrochemical double layer applied to electrocatalysis
Bonnet, Nicéphore (2011)
- Advisor: Nicola Marzari
- Department of Nuclear 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
Understanding and designing high power and high energy density cathode materials for lithium ion batteries by experiments and first principles computations
Ma, Xiaohu (2012)
- Advisor: Gerbrand Ceder
- Department of Materials Science and Engineering
Thermodynamics and kinetics of Mg intercalation for multivalent cathode applications
Gopalakrishnan, Sai Gautam (2017)
- Advisor: Gerbrand Ceder
- Department of Materials Science and Engineering