Browse by Committee Member

2025

Kazmierczak, Nathanael Parker (2025) Illuminating Molecular Spin Relaxation Mechanisms through Ligand Field Theory and Physical Inorganic Spectroscopy. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/wysm-z777. https://resolver.caltech.edu/CaltechTHESIS:05152025-215940051

Patheria, Eshaan Salim (2025) Multielectron Redox in Lithium-Rich, Industrial-Element Sulfides for High Energy Density Lithium-Ion Battery Cathodes. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/2pdg-hs94. https://resolver.caltech.edu/CaltechTHESIS:06032025-064811859

Peng, Linqing (2025) Harnessing Locality for Scalable Strongly Correlated Electron Simulations. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/6ffe-2j03. https://resolver.caltech.edu/CaltechTHESIS:05312025-001458670

Peng, Ruojing (2025) Classical Representation and Manipulation of Quantum Many Body States and High Dimensional Data. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/px31-5g53. https://resolver.caltech.edu/CaltechTHESIS:01282025-225116139

Sun, Jiace (2025) Classical and Quantum Simulation of Chemical and Physical Systems. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/3qp8-q490. https://resolver.caltech.edu/CaltechTHESIS:09022024-211742520

2024

Jones, Gregory Harrison (2024) From Venus to Mars: Spectroscopy and Kinetics of Reactive Intermediates in Planetary Atmospheres. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/7010-fc76. https://resolver.caltech.edu/CaltechTHESIS:12112023-043755538

Korol, Roman (2024) Development and Applications of Imaginary Time Path Integral Methods. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/jy10-rf87. https://resolver.caltech.edu/CaltechTHESIS:08212023-205141057

Le, Linh Nguyen Vuong (2024) Partial Synthetic Models of the FeMoco Nitrogenase Cluster with Bridging C-Based Ligands. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/9xgc-d212. https://resolver.caltech.edu/CaltechTHESIS:06032024-022957246

Sun, Shi-Ning (2024) Digital Quantum Simulation of Quantum Many-Body Systems. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/xm9j-9x23. https://resolver.caltech.edu/CaltechTHESIS:05292024-213136069

2023

Cui, Zhi-Hao (2023) Towards Ab Initio Simulations of High-Temperature Superconductivity. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/y2qf-1f77. https://resolver.caltech.edu/CaltechTHESIS:11022022-092201743

Scott, Anna Gustavus (2023) MFeS Clusters as Models for Complex Multimetallic Systems. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/v161-td03. https://resolver.caltech.edu/CaltechTHESIS:06112023-231330051

Tan Teck Keng, Adrian (2023) Digital Quantum Simulation of Physical Systems on Noisy Intermediate-Scale Quantum Computers. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/wget-ws64. https://resolver.caltech.edu/CaltechTHESIS:05072023-204014466

Zott, Michael David (2023) Strategic Applications of Electrochemistry in Ammonia Oxidation and Alkyl Halide Reduction. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/4fr8-7r78. https://resolver.caltech.edu/CaltechTHESIS:04282023-205948012

2022

Tao, Xuecheng (2022) Capturing Nuclear Quantum Effects at Classical Efficiency: a Path-Integral Approach. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/s929-5x12. https://resolver.caltech.edu/CaltechTHESIS:03282022-213805038

Cheng, Lixue (2022) Accurate and Transferable Molecular-Orbital-Based Machine Learning for Molecular Modeling. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/cjak-4x38. https://resolver.caltech.edu/CaltechThesis:04012022-153013173

Fornace, Mark Evan (2022) Computational Methods for Simulating and Parameterizing Nucleic Acid Secondary Structure Thermodynamics and Kinetics. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/ayeg-at42. https://resolver.caltech.edu/CaltechTHESIS:12212021-202554260

Gao, Yang (2022) Extending the Capability of Classical Quantum Many-Body Methods. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/15dc-sd19. https://resolver.caltech.edu/CaltechTHESIS:01032022-192500728

2021

Helms, Phillip Laurence (2021) Tensor Network Methods for Nonequilibrium Statistical Mechanics. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/kram-8g47. https://resolver.caltech.edu/CaltechTHESIS:06072021-223407413

Lee, Sebastian James Rice (2021) Combining High- and Low-Level Electronic Structure Theories for the Efficient Exploration of Potential Energy Surfaces. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/saf3-j798. https://resolver.caltech.edu/CaltechTHESIS:10292020-175326058

Stroscio, Gautam Dutta (2021) Understanding the Electronic Structures of First-Row Transition Metal Complexes for Solar Energy Conversion and Catalysis. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/4627-9w77. https://resolver.caltech.edu/CaltechTHESIS:02062021-054659966

Sun, Chong (2021) Finite Temperature Simulations of Strongly Correlated Systems. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/dchn-p020. https://resolver.caltech.edu/CaltechTHESIS:12102020-032212115

Ye, Erika (2021) Reducing Computational Costs for Many-Body Physics Problems. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/xpvv-ar02. https://resolver.caltech.edu/CaltechTHESIS:05112021-235754667

2019

Lee, Heui Beom (2019) Electronic Structure and Spectroscopy of Tetranuclear Mn4O4 and CaMn3O4 Complexes as Models of the Oxygen Evolving Complex in Photosystem II. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/S6NR-3N42. https://resolver.caltech.edu/CaltechTHESIS:03112019-204258320

Yu, Jason Miao (2019) Coupled Cluster Green's Functions for Periodic Systems: Ab-Inito Computation and Applications. Master's thesis, California Institute of Technology. doi:10.7907/0P9H-ZQ15. https://resolver.caltech.edu/CaltechTHESIS:07202019-210018604

2018

Fishman, Matthew Theodore (2018) Development of Tensor Network Algorithms for Studying Classical and Quantum Many-Body Systems. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/44s6-0q68. https://resolver.caltech.edu/CaltechTHESIS:05312018-184631141

Thompson, Niklas Bjarne (2018) A Synthetic Nitrogenase: Insights into the Mechanism of Nitrogen Fixation by a Single-Site Fe Catalyst. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/T4WQ-TM68. https://resolver.caltech.edu/CaltechTHESIS:05292018-165300346