2 citations · 3 across the 2 of their papers we have counts for
3 papers
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…
AutoMat: Accelerated Computational Electrochemical systems Discovery
Emil Annevelink, Rachel Kurchin, Eric Muckley +17
Large-scale electrification is vital to addressing the climate crisis, but several scientific and technological challenges remain to fully electrify both the chemical industry and…
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…