Publications

• A Comprehensive Dataset and Workflow for Building Large-Scale, Highly Oxidized Graphene Oxide Models , Data (2026)
• Cloud-based molecular dynamics simulations with AMBER: An interactive “collabortutorial” via Google Colab , SSRN Electronic Journal (2025)
• DFT-Based Calculation of the Vibrational Sum Frequency Generation Spectrum of Noncentrosymmetric Domains Interspersed in an Amorphous Matrix , The Journal of Physical Chemistry B (2025)
• Empirical evidence that glucan-interacting amino acid side chains within the transmembrane channel collectively facilitate cellulose synthase function , Plant Molecular Biology (2025)
• Bulk proton conduction in films from a truncated reflectin variant , APL Materials (2024)
• Electrostatic self-assembly yields a structurally stabilized PEDOT:PSS with efficient mixed transport and high-performance OECTs , Matter (2024)
• Structural determination of a full-length plant cellulose synthase informed by experimental and in silico methods , Cellulose (2024)
• Correlation of Emulsion Chemistry, Film Morphology, and Device Performance in Polyfluorene LEDs Deposited by RIR-MAPLE , ACS Applied Materials & Interfaces (2023)
• DFT-Based Calculation of Molecular Hyperpolarizability and SFG Intensity of Symmetric and Asymmetric Stretch Modes of Alkyl Groups , The Journal of Physical Chemistry B (2023)
• Effect of solvent on the emulsion and morphology of polyfluorene films: all-atom molecular dynamics approach , Soft Matter (2023)