1 citations · 1 across the 1 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2022★ 1 cited
By how much can closed-loop frameworks accelerate computational materials discovery?
Lance Kavalsky, Vinay I. Hegde, Eric Muckley +3
The implementation of automation and machine learning surrogatization within closed-loop computational workflows is an increasingly popular approach to accelerate materials discove…
cond-mat.mtrl-sci2020
Robust Active Site Design of Single Atom Catalysts for Electrochemical Ammonia Synthesis
Lance Kavalsky, Venkatasubramanian Viswanathan
In this work, we provide a computational methodological framework using the single-atom systems as an example material class for ammonia synthesis that is robust towards parameter…