Sam Blau
@samblau.bsky.social
Research scientist & computational chemist at Berkeley Lab using HT DFT workflows, machine learning, and reaction networks to model complex reactivity.
Example nanoparticle heterostructure optimization, driven by gradients of UV emission with respect to layer thicknesses and dopant concentrations from our hetero-GNN (not accessible from kMC) and sub-second inference (vs days from kMC) #F24MRS
December 2, 2024 at 3:52 PM
Example nanoparticle heterostructure optimization, driven by gradients of UV emission with respect to layer thicknesses and dopant concentrations from our hetero-GNN (not accessible from kMC) and sub-second inference (vs days from kMC) #F24MRS