Theses most similar to those of author Saritas, Kayahan
Quantum Monte Carlo for accurate energies and materials design (2017) 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
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
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
Nonadiabatic electron transfer in the condensed phase, via semiclassical and Langevin equation approach
Song, XiaoGen (2009)
- 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
High-throughput data mined prediction of inorganic compounds and computational discovery of new lithium-ion battery cathode materials
Hautier, Geoffroy (Geoffroy T. F.) (2011)
- Advisor: Gerbrand Ceder
- Department of Materials Science and Engineering
- Advisor: Troy Van Voorhis
- Department of Chemistry
Theoretical studies on the properties and dynamics of electronic excited states
Hait, Diptarka (2016)
- Advisor: Troy Van Voorhis
- Department of Chemistry