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Recent Publications


  1. The effect of chemical constitution on polyisoprene dynamics
  2. Role of counter-anion chemistry, free volume, and reaction byproducts in chemically amplified resists


  1. Deep convolutional neural networks for generating atomistic configurations of multi-component macromolecules from coarse-grained models
  2. Accelerated Diffusion Following Deprotection in Chemically Amplified Resists
  3. Polybutadiene Copolymers via Atomistic and Systematic Coarse-Grained Simulations


  1. Dynamics of Long Entangled Polyisoprene Melts via Multiscale Modeling
  2. Coupling between Polymer Conformations and Dynamics Near Amorphous Silica Surfaces: A Direct Insight from Atomistic Simulations
  3. Tailoring Interfacial Properties in Polymer–Silica Nanocomposites via Surface Modification: An Atomistic Simulation Study
  4. Dynamics and Rheology of Polymer Melts via Hierarchical Atomistic, Coarse-Grained, and Slip-Spring Simulations
  5. Ion Diffusion in Chemically Amplified Resists
  6. Interfacial Dynamics in Supported Ultrathin Polymer Films-From the Solid to the Free Interface


  1. Backmapping coarse-grained macromolecules: an efficient and versatile machine-learning approach
  2. Conformations and Dynamics of Polymer Chains in Cis and Trans Polybutadiene/Silica Nanocomposites through Atomistic Simulations: From the Unentangled to the Entangled Regime
  3. Coarse-graining of polyisoprene melts using inverse Monte Carlo and local density potentials