2 citations · 5 across the 7 of their papers we have counts for
Showing 2023Show all
3 papers · 1 filter
cond-mat.mtrl-sci2023★ 1 cited
Spectroscopy-Guided Discovery of Three-Dimensional Structures of Disordered Materials with Diffusion Models
Hyuna Kwon, Tim Hsu, Wenyu Sun +8
The ability to rapidly develop materials with desired properties has a transformative impact on a broad range of emerging technologies. In this work, we introduce a new framework b…
cond-mat.mtrl-sci2023★ 1 cited
Accelerate Microstructure Evolution Simulation Using Graph Neural Networks with Adaptive Spatiotemporal Resolution
Shaoxun Fan, Andrew L. Hitt, Ming Tang +2
Surrogate models driven by sizeable datasets and scientific machine-learning methods have emerged as an attractive microstructure simulation tool with the potential to deliver pred…
physics.comp-ph2023★ 2 cited
Score dynamics: scaling molecular dynamics with picoseconds timestep via conditional diffusion model
Tim Hsu, Babak Sadigh, Vasily Bulatov +1
We propose score dynamics (SD), a general framework for learning accelerated evolution operators with large timesteps from molecular-dynamics simulations. SD is centered around sco…