1. Developed a generative diffusion model for amorphous materials.
2. Proposed an atomistic information theory for thermodynamics, UQ, and machine learning.
3. Proposed an efficient data generation strategy to control the extrapolation of neural network models and perform fast sampling in different coverage regimes.
Research Experience
Leads the Digital Synthesis Lab, focusing on developing new ML methods to accelerate materials design, integrating complex physics simulations with high-performance computing, and proposing data-driven models to elucidate materials synthesis.
Background
Research interests include developing computational methods to enable predictive materials synthesis, thus accelerating their design. Using a range of tools - from databases to machine learning - he proposes solutions in energy, sustainability, and AI.