Browse by Advisor

2023

Lawniczak, James J. (2023) Computational Investigations of Organometallic Catalysis. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/aepb-jm46. https://resolver.caltech.edu/CaltechTHESIS:08042022-183527205

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

Kim, Jeongmin (2022) Molecular Simulations of Charge Transport for Energy Storage and Conversion Applications. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/5haz-ch54. https://resolver.caltech.edu/CaltechTHESIS:08202021-200738765

Rosa-Raíces, Jorge Luis (2022) Path Space Markov Chain Monte Carlo Methods for Molecular Simulation. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/10jr-hg67. https://resolver.caltech.edu/CaltechTHESIS:03292022-234015177

Zimmer, Matthew Holden (2022) Cotranslational Pulling Forces Alter Outcomes of Protein Synthesis. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/p7vk-cf03. https://resolver.caltech.edu/CaltechTHESIS:07232021-171251780

2021

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

2018

Niesen, Michiel Jacobus Maria (2018) Coarse-Grained Simulation Approaches for Protein Integration and Translocation via the Sec Translocon. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z91N7ZBS. https://resolver.caltech.edu/CaltechTHESIS:04052018-112428695

2016

Forte, Lila (2016) Statistical Mechanical Framework for Predicting Cellular Response. Master's thesis, California Institute of Technology. doi:10.7907/Z9K07273. https://resolver.caltech.edu/CaltechTHESIS:05272016-101847646

Wang, Connie Yuan-Ying (2016) Understanding Co-Translational Protein Targeting and Lithium Dendrite Formation through Free Energy Simulations and Coarse-Grained Models. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z97H1GHF. https://resolver.caltech.edu/CaltechTHESIS:05232016-092808469

Webb, Michael Anthony (2016) Path-Integral and Coarse-Graining Strategies for Complex Molecular Phenomena. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z90Z7172. https://resolver.caltech.edu/CaltechTHESIS:05252016-213050706

2015

Barnes, Taylor Arnold (2015) Development and Application of Embedding Methods for the Simulation of Large Chemical Systems. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z9KK98P1. https://resolver.caltech.edu/CaltechTHESIS:04212015-084744168

Kretchmer, Joshua S. (2015) Direct Simulation of Proton-Coupled Electron Transfer Reaction Dynamics and Mechanisms. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z98913T5. https://resolver.caltech.edu/CaltechTHESIS:01202015-085910230

2014

Goodpaster, Jason Daniel (2014) Density Functional Theory Embedding for Correlated Wavefunctions. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/RX3S-GH65. https://resolver.caltech.edu/CaltechTHESIS:05302014-220000101

Menzeleev, Artur R. (2014) Direct Simulation of Quantum Dynamics in Complex Systems. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/PZ32-ZN60. https://resolver.caltech.edu/CaltechTHESIS:05302014-112920946

Sosa Padilla Araujo, Bernardo (2014) Computational Enzyme Design. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z9KP805N. https://resolver.caltech.edu/CaltechTHESIS:05052014-122744794

2013

Boekelheide, Nicholas (2013) Quantum Simulation of Enzyme Catalysis. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/A27J-Q614. https://resolver.caltech.edu/CaltechTHESIS:06102013-024419372

Zhang, Bin (2013) Sec-facilitated Protein Translocation and Membrane Integration. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/6WWV-V190. https://resolver.caltech.edu/CaltechTHESIS:10172012-174905364