Browse by Committee Member

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

Lawniczak, James Joseph (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

Qiao, Zhuoran (2023) Physics-Informed Neural Approaches for Multiscale Molecular Modeling and Design. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/48d1-ja21. https://resolver.caltech.edu/CaltechTHESIS:12102022-055022458

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

Aceves, Aiden Joseph (2022) Machine Learning and Modeling Methods for Protein Engineering. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/5j34-0d55. https://resolver.caltech.edu/CaltechTHESIS:09092021-024951318

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

Jacobson, Daniel Rance (2022) Computational Studies of Dendritic Deposition and Trajectory Phase Coexistence. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/dje7-ey77. https://resolver.caltech.edu/CaltechTHESIS:05272022-201237457

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

Schild, Dirk Jacob (2022) Synthesis, Characterization, and Reactivity of Iron Hydrides in Nitrogen Fixation and Proton Coupled Electron Transfer from C-H bonds. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/1ytm-7s85. https://resolver.caltech.edu/CaltechTHESIS:10192021-161648176

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

Dulaney, Austin Ryan (2021) Density Fluctuations and Machine Learning in Active Matter. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/ne1a-je31. https://resolver.caltech.edu/CaltechTHESIS:12282020-233314685

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

Mead, Griffin John (2021) Chirped Pulse Microwave and Single-Shot Terahertz Spectroscopy Studies of Intermolecular Interactions. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/7wzt-ak58. https://resolver.caltech.edu/CaltechTHESIS:12072020-235133438

Nuñez, Paul Daniel (2021) Investigating Unexpected but Advantageous Integrated Systems for Solar Water Splitting. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/8q5x-9d27. https://resolver.caltech.edu/CaltechTHESIS:01162020-234409466

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

Xie, Hao (2021) Road to Equilibrium: Stable Isotope Distribution in Gaseous Alkanes and Thermal History of Geological Hydrocarbons. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/neh6-6c82. https://resolver.caltech.edu/CaltechTHESIS:04012021-045507416

Chalkley, Matthew J. (2020) Proton-Coupled Electron Transfer in Nitrogen Fixation. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/FE9D-9K14. https://resolver.caltech.edu/CaltechTHESIS:02052020-203503014

Davis, Hunter Cole Davis (2020) Mechanistic Insights for Magnetic Imaging and Control of Cellular Function. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/9QEJ-6H55. https://resolver.caltech.edu/CaltechTHESIS:10072019-141728052

Fajardo, Javier, Jr. (2020) Transition Metal Complexes for Challenging Reductive Transformations: From Nitrogen Fixation Catalysts to Photoreductants. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/0fgd-j835. https://resolver.caltech.edu/CaltechTHESIS:06082020-141438135

Krueger, Rachel Ann (2020) Theoretical Characterization of Aromatic Exciplex Fluorescence. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/FW2R-BF41. https://resolver.caltech.edu/CaltechTHESIS:07242019-140324087

Lunny, Elizabeth Margaret (2020) High-Resolution Photoacoustic Spectroscopy of the Oxygen A-Band. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/qxcm-4909. https://resolver.caltech.edu/CaltechTHESIS:06082020-132244698

Hannoun, Kareem Imad (2019) Mechanistic Study of Cu-Mediated, Photoinduced C–S Bond Formation and Demonstration of Electrochemical Ammonia Production by a Surface-Attached Iron Complex. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/R9EJ-KX83. https://resolver.caltech.edu/CaltechTHESIS:05302019-070503222

Ho, Samuel Hin-Yuen (2019) Chemical Tools for Protein Imaging in Live Bacterial Cells. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/KNWF-CZ96. https://resolver.caltech.edu/CaltechTHESIS:05312019-211114775

Huang, Yufeng (2019) Computational Heterogeneous Electrochemistry – From Quantum Mechanics to Machine Learning. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/MCGV-Y790. https://resolver.caltech.edu/CaltechTHESIS:12232018-185711169

Hui, Aileen Oyama Ah Yee (2019) Atmospheric Peroxy Radical Chemistry Studied by Infrared Kinetic Spectroscopy. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z9H0-1H20. https://resolver.caltech.edu/CaltechTHESIS:01172019-135430092

Hwang-Fu, Yu-Hsien (2019) Dynamic Regulations of Co-Translational Protein Targeting by the Signal Recognition Particle Receptor in E. coli and Human. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/STGW-8V12. https://resolver.caltech.edu/CaltechTHESIS:12122018-102847326

Shen, Kevin (2019) Conformations and Charge Fluctuations in Polyelectrolyte Solutions. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Y6VG-0297. https://resolver.caltech.edu/CaltechTHESIS:08142018-105206326

Kim, Jungwoo (2018) Microfluidic Analysis in Patient Biopsies: toward Precision Medicine for Glioblastoma Multiforme. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z9639MX2. https://resolver.caltech.edu/CaltechTHESIS:09042017-140704721

Marshall, Stephen Sandell (2018) Improvement of Integral Membrane Protein Expression via Optimization of Simulated Integration Efficiency. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z9Q23XD3. https://resolver.caltech.edu/CaltechTHESIS:08292017-151537318

Matson, Benjamin David (2018) Interplay of Proton Transfer, Electron Transfer and Proton-Coupled Electron Transfer in Transition Metal Mediated Nitrogen Fixation. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z9MS3R0Z. https://resolver.caltech.edu/CaltechTHESIS:02232018-152758526

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

Zwang, Theodore Joseph (2018) Magnetic Field Effects and Biophysical Studies on DNA Charge Transport and Repair. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z9TT4P4H. https://resolver.caltech.edu/CaltechTHESIS:07282017-141924517

Finneran, Ian Alan (2017) Terahertz and Microwave Spectroscopy of Liquids and Hydrogen-Bonded Clusters. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z9348HD4. https://resolver.caltech.edu/CaltechTHESIS:03082017-151032634

Hong, Yun-Hua (2017) Theory of Dynamical Processes in Semiconductor Quantum Dots. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z99G5JT3. https://resolver.caltech.edu/CaltechTHESIS:08102016-154641607

Xu, Chen (2017) The Catalytic and Mechanical Properties of Lithium Battery Electrodes. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z9XG9P4W. https://resolver.caltech.edu/CaltechTHESIS:11062016-104329889

Zhuang, Bilin (2017) Dipolar Liquids and Their Mixtures: Equilibrium and Nonequilibrium Properties with Field-Theoretic Approaches. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z9VQ30QR. https://resolver.caltech.edu/CaltechTHESIS:06042017-233656614

Chen, David Zhaoyue (2016) Atomic-Level Structure and Deformation in Metallic Glasses. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z95Q4T2B. https://resolver.caltech.edu/CaltechTHESIS:05252016-155624343

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

Allodi, Marco Alberto (2015) On Ultrafast Time-Domain TeraHertz Spectroscopy in the Condensed Phase: Linear Spectroscopic Measurements of Hydrogen-Bond Dynamics of Astrochemical Ice Analogs and Nonlinear TeraHertz Kerr Effect Measurements of Vibrational Quantum Beats. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z97D2S2P. https://resolver.caltech.edu/CaltechTHESIS:05312015-221615628

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

Cvicek, Vaclav (2015) Structure Prediction of G-Protein Coupled Receptors. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z9S46PVG. https://resolver.caltech.edu/CaltechTHESIS:02042015-031802985

Farwell, Christopher C. (2015) Engineering and Characterization of Cytochrome P450 Enzymes for Nitrogen-Atom Transfer Reactions. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z9765C71. https://resolver.caltech.edu/CaltechTHESIS:01302015-155404718

Hong, Qi-Jun (2015) Methods for Melting Temperature Calculation. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z98C9T6H. https://resolver.caltech.edu/CaltechTHESIS:11092014-074023936

Kirkpatrick, Andrea (2015) Computational Predictions of G Protein-Coupled Receptor Structures and Binding Sites. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z9NG4NJG. https://resolver.caltech.edu/CaltechTHESIS:04132015-220841374

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

Marotta, Christopher Bruno (2015) Structure-Function Studies of Nicotinic Acetylcholine Receptors Using Selective Agonists and Positive Allosteric Modulators. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z9V122Q9. https://resolver.caltech.edu/CaltechTHESIS:05292015-144036736

Wang, Rui (2015) Effects of Self Energy of the Ions on the Double Layer Structure and Properties at the Dielectric Interface. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z9DN431P. https://resolver.caltech.edu/CaltechTHESIS:12102014-125310289

Weitekamp, Raymond Andrew (2015) Multifunctional Materials: Bottom-Up and Top-Down. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z90C4SSB. https://resolver.caltech.edu/CaltechTHESIS:06042015-140901217

Ariosa, Aileen Renia (2014) Mechanisms of Substrate Selection by the Signal Recognition Particle. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/AEDK-0925. https://resolver.caltech.edu/CaltechTHESIS:05302014-103528106

Beardslee, Joseph Allen (2014) Magnetic Alignment of High-Aspect Ratio Microwires into Vertical Arrays. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/KNHK-AK52. https://resolver.caltech.edu/CaltechTHESIS:05292014-124316181

Boney, Evans T. D. (2014) Vibrational Pooling and Constrained Equilibration on Surfaces. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/JM2J-XX84. https://resolver.caltech.edu/CaltechTHESIS:09302013-141151012

Fu, Ross (2014) Iridium and Rhodium Analogues of the Shilov Cycle Catalyst; and The Investigation and Applications of the Reduction-Coupled Oxo Activation (ROA) Mechanistic Motif towards Alkane Upgrading. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/WY3F-DZ94. https://resolver.caltech.edu/CaltechTHESIS:05212014-155104252

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

Hamdouche, Samy (2014) Engineered Antibody and Monobody Domains with T Cell Receptor-Like Selectivity for Tumor Associated Peptide-MHC Antigens. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z9WH2N02. https://resolver.caltech.edu/CaltechTHESIS:06062014-175608943

Liu, Wei-Guang (2014) First-Principle Studies of the Initiation Mechanism of Energetic Materials. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z9445JGM. https://resolver.caltech.edu/CaltechTHESIS:05232014-150103448

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

Trudeau, Devin Lee (2014) Engineering Enzyme Systems by Recombination. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/F8T8-3S80. https://resolver.caltech.edu/CaltechTHESIS:01202014-144143175

Wolfe, Brian Robert (2014) Design and Analysis of Nucleic Acid Reaction Pathways. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/G4XZ-ZF47. https://resolver.caltech.edu/CaltechTHESIS:03272014-193400848

Bhawe, Yashodhan (2013) I: Solid Materials for Low Temperature Thermochemical Water Splitting. II: Structure-Property Relationships on the Zeolite Catalyzed Conversion of Methanol to Light Olefins. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/05FG-JG39. https://resolver.caltech.edu/CaltechTHESIS:11282012-141927745

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

Ford, Nicole Danielle Bouley (2013) Capturing Protein Dynamics with Time-Resolved Luminescence Spectroscopy. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/N8B5-4644. https://resolver.caltech.edu/CaltechTHESIS:05302013-155904165

Kelley, Matthew James (2013) Terahertz Time Domain Spectroscopy of Amino Acids and Sugars. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/FQ9S-JF63. https://resolver.caltech.edu/CaltechTHESIS:04232013-183107863

McKone, James Robert (2013) Earth-Abundant Materials for Solar Hydrogen Generation. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/NDDJ-P611. https://resolver.caltech.edu/CaltechTHESIS:06052013-140402659

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

Theofanis, Patrick Lauren (2012) The Quantum Electron Dynamics of Materials Subjected to Extreme Environments. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/BJ5N-QV45. https://resolver.caltech.edu/CaltechTHESIS:04262012-115237724

Kimball, Gregory Michael (2012) Zn₃P₂ and Cu₂O Substrates for Solar Energy Conversion. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Q4F1-H538. https://resolver.caltech.edu/CaltechTHESIS:10302011-182613259

Lin, Milo Miaoyu (2012) Protein Folding and Macromolecular Dynamics: Fundamental Limits of Length and Time Scales. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/CSW5-WY69. https://resolver.caltech.edu/CaltechTHESIS:05282012-103610958

Long, David Alexander (2012) Frequency-Stabilized Cavity Ring-Down Spectroscopy of O₂ and CO₂ to Support Atmospheric Remote Sensing. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/CTFH-GZ09. https://resolver.caltech.edu/CaltechTHESIS:06282011-172416252

Olmon, Eric Daniel (2012) Investigating DNA-Mediated Charge Transport by Time-Resolved Spectroscopy. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/6GDE-2707. https://resolver.caltech.edu/CaltechTHESIS:10282011-143721555

Dempsey, Jillian Lee (2011) Hydrogen Evolution Catalyzed by Cobaloximes. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/XK4M-DZ27. https://resolver.caltech.edu/CaltechTHESIS:01252011-134049886

Anderson, Amos Gerald (2010) Quantum Monte Carlo: Faster, More Reliable, and More Accurate. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/KVTV-N754. https://resolver.caltech.edu/CaltechETD:etd-08122009-151332

Pascal, Tod Augustin (2010) New Approaches to Accurate Predictions of Free Energies: From Proteins to Organic Nanostructures. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/P0JH-QM60. https://resolver.caltech.edu/CaltechTHESIS:10262009-204842274

Witman, Jennifer Elisabeth (2010) The T-Shaped Anisotropic Molecule Model: A Unique Perspective on the Glass Transition and Gelation in Low Valence, Directional, Network Forming Liquids. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/0XET-0H46. https://resolver.caltech.edu/CaltechTHESIS:04122010-145555532