1. Advancing Loop Prediction to Ultra-High Resolution Sampling Miller, Edward Blake 2014 Theses Sequence alignment (Bioinformatics)Proteins--Mathematical modelsChemistry, Physical and theoreticalChemistry
2. An Active Approach to Engineering the Microscopic Mallory, Stewart Anthony 2017 Theses ChemistryPhysicsColloidsMaterials science
3. Anharmonic Phonon Behavior using Hamiltonian constructed via Irreducible Derivatives Xiao, Enda 2023 Theses Condensed matterPhononsHamiltonian systemsX-rays--ScatteringHartree-Fock approximationQuasiparticles (Physics)Perturbation (Mathematics)Green's functions
4. Antibody loop modeling methods and applications Murrett, Colleen 2015 Theses HIV antibodiesHomology (Biology)Proteins--Structure--Mathematical modelsAlgorithmsChemistryBiophysics
5. Applications of Coupled Cluster Theory to Models of Extended Systems of Fermions Callahan, James Michael 2022 Theses Cluster theory (Nuclear physics)FermionsElectron gasPlasmons (Physics)
6. Auger Recombination in III-V Semiconductors Williams, Kristopher 2017 Theses Materials sciencePhysicsCondensed matterSemiconductorsAuger effect
7. Computational Methods for the Calculation of Electrochemical Properties and pKa Predictions Coskun, Dilek 2021 Theses ChemistryChemistry, Physical and theoreticalDrugs--ResearchCatalysisElectrochemistryIonization constants
8. Connections between structure and dynamics in model supercooled liquids Hocky, Glen Max 2014 Theses ChemistryChemistry, Physical and theoretical
9. Delving Into Dissipative Quantum Dynamics: From Approximate to Numerically Exact Approaches Chen, Hsing-Ta 2016 Theses Quantum chemistryPhononsElectron-phonon interactionsQuantum theoryCondensed matter
10. Developments in Auxiliary Field Quantum Monte Carlo for Molecules Weber, John Landstrom 2023 Theses ChemistryMoleculesMetallocenesMonte Carlo methodAnthraceneTransition metals
11. Dynamics and spectroscopy of strongly coupled electrons and nuclei Fetherolf, Jonathan Holmes 2021 Theses Chemistry, Physical and theoreticalSpectrum analysisElectronsPerturbation (Quantum dynamics)Nuclear physicsPolaronsOrganic semiconductorsVibrational spectra
12. Dynamics of Light-Matter Coupling in Lead Halide Perovskites Schlaus, Andrew 2020 Theses Materials sciencePerovskitePhysicsPhotons
13. Electronic Properties of Next-Generation Semiconductors Mayers, Matthew Z. 2018 Theses ChemistryCondensed matterMaterials scienceSemiconductors--MaterialsElectronicsQuantum theory
14. Generalized quantum master equations: Getting more for less Montoya-Castillo, Andrés 2016 Theses Quantum theoryChemistry, Physical and theoreticalCondensed matterChemistry
15. Hierarchical dynamics of individual RNA helix base pair formation and disruption Hon, Jason J. 2017 Theses ChemistryRNA--StructureField-effect transistorsMolecular biology
16. Interactions between 0-Dimensional and 2-Dimensional Materials Chen, Zheyuan 2011 Theses Chemistry, Physical and theoretical
17. Investigating electron transfer across single-molecule junctions Gunasekaran, Suman 2021 Theses MicrophysicsNanoscienceChemistry, Physical and theoreticalElectron transportScanning tunneling microscopyMolecular orbitalsPhotoconductivity
18. Investigation of Slow Dynamics in Proteins: NMR Pulse Sequence Development and Application in Triosephosphate Isomerase Li, Wenbo 2012 Theses Biophysics
19. Microscopic theories of excitons and their dynamics Berkelbach, Timothy C. 2014 Theses Chemistry, Physical and theoreticalCondensed matterChemistry
20. Novel Quantum Monte Carlo Approaches for Quantum Liquids Rubenstein, Brenda M. 2013 Theses Physics