Accelerate microstructure evolution simulation using graph neural networks with adaptive spatiotemporal resolution
S Fan, AL Hitt, M Tang, B Sadigh… - … Learning: Science and …, 2024 - iopscience.iop.org
Surrogate models driven by sizeable datasets and scientific machine-learning methods
have emerged as an attractive microstructure simulation tool with the potential to deliver …
have emerged as an attractive microstructure simulation tool with the potential to deliver …
Score Dynamics: Scaling Molecular Dynamics with Picoseconds Time Steps via Conditional Diffusion Model
We propose score dynamics (SD), a general framework for learning accelerated evolution
operators with large timesteps from molecular dynamics (MD) simulations. SD is centered …
operators with large timesteps from molecular dynamics (MD) simulations. SD is centered …