793 citations · 942 across the 6 of their papers we have counts for
3 papers · 1 filter
Robust Training of Machine Learning Interatomic Potentials with Dimensionality Reduction and Stratified Sampling
Ji Qi, Tsz Wai Ko, Brandon C. Wood +2
Machine learning interatomic potentials (MLIPs) enable the accurate simulation of materials at larger sizes and time scales, and play increasingly important roles in the computatio…
An Introduction to Electrocatalyst Design using Machine Learning for Renewable Energy Storage
C. Lawrence Zitnick, Lowik Chanussot, Abhishek Das +14
Scalable and cost-effective solutions to renewable energy storage are essential to addressing the world's rising energy needs while reducing climate change. As we increase our reli…
The Open Catalyst 2020 (OC20) Dataset and Community Challenges
Lowik Chanussot, Abhishek Das, Siddharth Goyal +14
Catalyst discovery and optimization is key to solving many societal and energy challenges including solar fuels synthesis, long-term energy storage, and renewable fertilizer produc…