John A. Keith

1. Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems
   2021/07/07 by John A. Keith, Valentín Vassilev-Galindo, Bingqing Cheng +4 · 34 citations
   Chemical Engineering · Computer Science · Materials Science · #Catalysis and Oxidation Reactions #Computational Drug Discovery Methods #Machine Learning in Materials Science
2. Using nature’s blueprint to expand catalysis with Earth-abundant metals
   2020/08/14 by R. Morris Bullock, Jingguang G. Chen, Laura Gagliardi +15 · 14 citations
   Chemistry · Energy · #CO2 Reduction Techniques and Catalysts #Metal-Catalyzed Oxygenation Mechanisms #Metalloenzymes and iron-sulfur proteins
3. A Sobering Assessment of Small-Molecule Force Field Methods for Low\n Energy Conformer Predictions
   2017/05/11 by Ilana Y. Kanal, John A. Keith, Kanal, Ilana Y. +3 · 1 citation
   Computer Science · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #FOS: Physical sciences #Machine Learning in Materials Science