Metallic alloys uniquely combine strength, ductility, and reusability. These properties result from a complex hierarchy of mechanisms that are only partially understood.
Our research pushes the frontier of multi-scale simulation methods for metals, connecting atomic dynamics, microstructure, and mechanical properties.
Current theoretical topics include:
– Misspecification-aware uncertainty quantification for surrogate models
– End-to-end differentiable simulations for error control and inverse design
– Efficient fine-tuning of foundational atomic models
– Data-driven forecasting of long-timescale simulation behaviour
– Massively parallel algorithms for timescale acceleration