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1.
Computationally Advancing the Predictive Ppower of the Nanoporous Materials Genome
by Witman, Matthew D., Ph.D.  University of California, Berkeley. 2019: 180 pages; 13860128.
2.
Exotic Ordered and Disordered Many-Particle Systems with Novel Properties
by Zhang, Ge, Ph.D.  Princeton University. 2017: 374 pages; 10622528.
3.
Computational Design of Protein-Ligand Interfaces Using RosettaLigand
by Allison, Brittany Ann, Ph.D.  Vanderbilt University. 2016: 155 pages; 13834927.
5.
Optical Activity of Achiral Molecules
by Murphy, Veronica L., Ph.D.  New York University. 2016: 297 pages; 10192177.
6.
Numerical Modeling of Coal Hydropyrolysis
by Baldwin, Gideon D., M.S.  University of Wyoming. 2019: 154 pages; 22616452.
8.
Molecular Dynamics Study of Polymers and Atomic Clusters
by Sponseller, Daniel Ray, Ph.D.  George Mason University. 2017: 137 pages; 10685723.
9.
Efficient Computational Methods for the Study of Charge Transport in Disordered Organic Semiconductors
by Brown, J. S., Ph.D.  University of Colorado at Boulder. 2019: 153 pages; 27663249.
10.
Real-Space Localization Methods for Minimizing the Kohn-Sham Energy
by Millstone, Marc, Ph.D.  New York University. 2011: 84 pages; 3466938.
11.
Cu, Zn-Based Catalysts for Methanol Synthesis
by Schumann, Julia, Dr.Nat.  Technische Universitaet Berlin (Germany). 2015: 179 pages; 10697496.
12.
At the intersection of quantum computing and quantum chemistry
by Whitfield, James Daniel, Ph.D.  Harvard University. 2011: 220 pages; 3491961.
13.
The Importance of Thermal Expansion in the Simulation of Molecular Crystals
by McKinley, Jessica Lynee, Ph.D.  University of California, Riverside. 2019: 263 pages; 13896940.
14.
Feet on the potential energy surface, head in the π clouds
by Smith, Quentin Anthony, Ph.D.  Iowa State University. 2011: 131 pages; 3458332.
16.
Quantifying Protonation State Effects in Protein-ligand Interaction
by Rustenburg, Ariën Sebastiaan, Ph.D.  Weill Medical College of Cornell University. 2019: 308 pages; 27543710.
18.
Ring-Opening Alkyne Metathesis Methods for Functional Conjugated Polymer Synthesis
by von Kugelgen, Stephen W., Ph.D.  University of California, Berkeley. 2018: 229 pages; 13423664.
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21.
New Methods of Single Molecule Spectroscopy Using Optical Tweezers
by Black, Jacob W., Ph.D.  Yale University. 2019: 188 pages; 13807155.
22.
Exploring Structure and Function Relationships of the Solute Carrier Protein Family in Disease
by Keathley, Russell Hudson, M.S.  Icahn School of Medicine at Mount Sinai. 2018: 51 pages; 10931576.
24.
Rational Design of Anti-diabetic Agents
by Redij, Tejashree, Ph.D.  University of the Sciences in Philadelphia. 2019: 110 pages; 13861629.
25.
Phospholipase A2 Enzymes: A Multidisciplinary Approach to Studying the Mechanisms of Activation and Inhibition
by Vasquez, Alexis Marie, M.S.  University of California, San Diego. 2017: 86 pages; 10607022.
26.
Development of Computer Aided Drug Design Algorithms and Application to the APOBEC3 Family of Proteins
by Wagner, Jeffrey Robert Rothfeld, Ph.D.  University of California, San Diego. 2018: 143 pages; 10747265.
27.
Numerical and Computational Solutions for Biochemical Kinetics, Druggability, and Simulation
by Votapka, Lane William, Ph.D.  University of California, San Diego. 2016: 280 pages; 10062341.
28.
Computational Studies of Protein-Inhibitor Interactions
by Mohammadi, Mohammadjavad, Ph.D.  University of New Hampshire. 2019: 258 pages; 13885097.
29.
Molecular Level Studies on the Cannabinoid Receptor Type 1 (CB1): Biased Signaling and MD Simulations
by Al Zoubi, Rufaida M., Ph.D.  The University of North Carolina at Greensboro. 2018: 130 pages; 10751796.
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