Electronic structure and emergent reactivity
What new reaction chemistry becomes possible in materials with exotic electronic configurations?
Rosen Research Group · Princeton University
Quantum-chemical engineering
and machine learning
We use quantum-mechanical simulations and machine learning to uncover the mechanisms governing reactivity and stability in solid-state materials.
Explore our research →Research Program
Core research areas
Stability and decomposition
What governs the stability of a material and the series of reactions that lead to its decomposition?
Machine-learned interatomic potentials
We build datasets, benchmarks, models, and open-source software that make machine-learned interatomic potentials more reliable.