Research projects

Generative materials models, scientific machine learning, and open tools for microscopy.
Host-Guided Crystal Structure Generation
2025 · Published

Host-Guided Crystal Structure Generation

Conditional generative models for placing atoms inside symmetrized host structures, combining diffusion-based inpainting with foundation potentials for materials discovery.

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Generative Inpainting for Intercalation Materials
2024 · Published

Generative Inpainting for Intercalation Materials

An SE(3)-equivariant score model that predicts intercalant positions in host crystals for energy-storage materials design.

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DeepSTEM: AI Copilot for Electron Microscopy
2023 · Open Source

DeepSTEM: AI Copilot for Electron Microscopy

Open-source tools for STEM image and EELS analysis, including denoising, atom localization, chemical characterization, and structure discovery.

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Data-Centric Structure Identification
2022 · Research

Data-Centric Structure Identification

Graph neural networks and feature engineering for accurate, efficient local crystal-structure identification in atomistic simulations.