14 citations · 21 across the 3 of their papers we have counts for
4 papers
Autonomous atomistic-continuum coupling through uncertainty-aware active learning
Daniel Abdulah, Hariswaran Sitaraman, Ross E. Larsen +5
We develop an uncertainty-aware surrogate modeling approach for coupling an atomistic kinetic Monte Carlo (KMC) surface-chemistry solver with a continuum multi-species fluid dynami…
Effective bands and band-like electron transport in amorphous solids
Matthew Jankousky, Dimitar Pashov, Ross E. Larsen +3
The localization of electrons caused by atomic disorder is a well-known phenomenon. However, what circumstances allow electrons to remain delocalized and retain band-like character…
Adaptive Computing for Scale-up Problems
Kevin Patrick Griffin, Hilary Egan, Marc T. Henry de Frahan +11
Adaptive Computing is an application-agnostic outer loop framework to strategically deploy simulations and experiments to guide decision making for scale-up analysis. Resources are…
Lattice fluctuations, not excitonic correlations, mediated electronic localization in TiSe
Ross E. Larsen, Dimitar Pashov, Matthew D. Watson +2
TiSe is thought to be an insulator with a bandgap of ~0.1eV. It has attracted a much interest because, among of a rich array of unique properties, many have thought TiSe is…