David Yaron

1. Semiempirical Hamiltonians learned from data can have accuracy comparable to Density Functional Theory
   2022/10/21 by Frank Hu, Hu, Frank, Hanqing He +3 · 1 citation
   Chemical Engineering · Computer Science · Materials Science · #Catalysis and Oxidation Reactions #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #FOS: Physical sciences #Machine Learning in Materials Science