Shao-Yu Tseng

Structural benchmarks overlook density-of-states errors in machine-learned interatomic potentials

Universal machine-learned interatomic potentials are widely used as fast surrogates for density functional theory in structural modeling. Standard benchmarks emphasize energies, forces, and relaxed geometries. Whether the resulting structures also preserve the density of states remains largely unexplored. We examine th...

VVMex v1.0: a modular GPU-capable refactoring of the Vector Vorticity cloud-resolving Model (VVM) with LES-based hierarchical validation and performance analysis