Kateri H. DuBay

University of Virginia — United States

Chemistry · Physical Sciences

12h-index784citations51works0.72yr avg
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Research Topics

Advanced Polymer Synthesis and Characterization(11), Machine Learning in Materials Science(8), Protein Structure and Dynamics(7), Gold and Silver Nanoparticles Synthesis and Applications(7), Organic Electronics and Photovoltaics(6)

Publications51 total

Prediction and Determination of Monolayer Structure in Binary Alkanethiol/Carboxylic Acid Ligand Mixtures on Gold Nanoparticles
2026Open Access
Seed Oligomers Regulate Sequence Development through a Templating Effect in Simulated Irreversible Step-Growth Copolymerization
Macromolecules·2025Open Access
Engineering Nanoparticle Surface Amphiphilicity: An Integrated Computational and Laser Desorption Ionization Study of Controlled Ligand Self-Assembly
The Journal of Physical Chemistry C·2025Open Access
Engineering Nanoparticle Surface Amphiphilicity: An Integrated Computational and Laser Desorption Ionization Study of Controlled Ligand Self-Assembly
2025Open Access
Seed Oligomers Regulate Sequence Development through a Templating Effect in Simulated Irreversible Step-growth Copolymerization
2025Open Access
Engineering Nanoparticle Surface Amphiphilicity: An Integrated Computational and Laser Desorption Ionization Study of Controlled Ligand Self-Assembly
2025Open Access
Characteristic System Time Scales Can Influence the Collective Sequence Development of Nematically Ordered Copolymers
Macromolecules·2024· 2 citedOpen Access
Characteristic System Timescales Can Influence the Collective Sequence Development of Nematically Ordered Copolymers
2024Open Access
2D capsid formation within an oscillatory energy landscape: orderly self-assembly depends on the interplay between a dynamic potential and intrinsic relaxation times
Soft Matter·2024· 4 citedOpen Access
Remembering the Work of Phillip L. Geissler: A Coda to His Scientific Trajectory
Annual Review of Physical Chemistry·2023· 1 citedOpen Access
Emergent Sequence Biasing in Step-Growth Copolymerization: Influence of Non-Bonded Interactions and Comonomer Reactivities
The Journal of Physical Chemistry B·2022· 5 cited
Structure and Dynamics of Adsorbed Dopamine on Solvated Carbon Nanotubes and in a CNT Groove
Molecules·2022· 2 citedOpen Access
Emergent sequence biasing in step-growth copolymerization: influence of non-bonded interactions and comonomer reactivities
2022Open Access
Structure and Dynamics of Adsorbed Dopamine on Solvated Carbon Nanotubes and in a CNT Groove
2022· 1 citedOpen Access
Atomistic Simulations of Dopamine Diffusion Dynamics on a Pristine Graphene Surface**
ChemPhysChem·2021· 7 citedOpen Access
Selective solvent conditions influence sequence development and supramolecular assembly in step-growth copolymerization
Soft Matter·2021· 8 cited
Selective solvent conditions influence sequence development and supramolecular assembly in step-growth copolymerization
2021Open Access
Selective solvent conditions influence sequence development and supramolecular assembly in step-growth copolymerization
2021
Atomistic simulations of dopamine diffusion dynamics on a pristine graphene surface
2021Open Access
Atomistic simulations of dopamine diffusion dynamics on a pristine graphene surface
2021Open Access
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Frequent Co-authors

Qizhang Jia(8), David R. Reichman(7), Ryan L. Hamblin(7), Richard A. Friesner(6), Nhu Q. Nguyen(6), Zhongmin Zhang(6), Phillip L. Geissler(5), Kyle N. Plunkett(5), B. Jill Venton(5), Xinju Zhu(3), Jessica K. Niblo(3), Andrew L. Weisman(3), Katherine A. Willets(3), David L. Green(3), Xuanye Zhu(3), Zachary LaFaver(3), Michelle Lynn Hall(2), Emma J. Dell(2), Brian Capozzi(2), Timothy C. Berkelbach(2)