189 citations · 244 across the 3 of their papers we have counts for
3 papers
Probing Structure and Ionic Transport in Molten Lithium Carbonate
Debsundar Dey, Abhirup Patra, Anand Narayanan Krishnamoorthy +1
LiCO (LC) is a cornerstone material for clean energy technologies, including high-temperature molten carbonate fuel cells, electrochemical carbon capture, and lithium-based…
An Experimentally Driven Automated Machine Learned lnter-Atomic Potential for a Refractory Oxide
Ganesh Sivaraman, Leighanne Gallington, Anand Narayanan Krishnamoorthy +4
Understanding the structure and properties of refractory oxides are critical for high temperature applications. In this work, a combined experimental and simulation approach uses a…
Machine Learning Inter-Atomic Potentials Generation Driven by Active Learning: A Case Study for Amorphous and Liquid Hafnium dioxide
Ganesh Sivaraman, Anand Narayanan Krishnamoorthy, Matthias Baur +5
We propose a novel active learning scheme for automatically sampling a minimum number of uncorrelated configurations for fitting the Gaussian Approximation Potential (GAP). Our act…