793 citations · 822 across the 4 of their papers we have counts for
4 papers
Synthesizing like a chemist: an iterative, feedback-driven loop for materials discovery
Fang Sheng, Steven B. Torrisi, Amanda Volk +4
Most computationally predicted materials are never synthesized because conventional synthesis optimization is slow, expertise-dependent, and iterative. Here we present a closed-loo…
Computational catalyst discovery: Active classification through myopic multiscale sampling
Kevin Tran, Willie Neiswanger, Kirby Broderick +3
The recent boom in computational chemistry has enabled several projects aimed at discovering useful materials or catalysts. We acknowledge and address two recurring issues in the f…
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…