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• Design and Analysis of Machine Learning Exchange-Correlation Functionals via Rotationally Invariant Convolutional Descriptors
  2019 · 85 citations
• A Self-Improvable Polymer Discovery Framework Based on Conditional Generative Model
  2023 · 6 citations
• De novo Design of Polymer Electrolytes with High Conductivity using GPT-based and Diffusion-based Generative Models
  2023 · 6 citations
• ElectroLens: Understanding Atomistic Simulations Through Spatially-resolved Visualization of High-dimensional Features
  2019 · 1 citations
• A Universal Framework for Featurization of Atomistic Systems
  2021 · 1 citations
• The Role of Reference Points in Machine-Learned Atomistic Simulation Models
  2023