2.1k citations · 2.4k across the 2 of their papers we have counts for
2 papers
physics.chem-ph2016★ 2.1k cited
ANI-1: An extensible neural network potential with DFT accuracy at force field computational cost
Justin S. Smith, Olexandr Isayev, Adrian E. Roitberg
Deep learning is revolutionizing many areas of science and technology, especially image, text and speech recognition. In this paper, we demonstrate how a deep neural network (NN) t…
cond-mat.mtrl-sci2014★ 307 cited
Materials Cartography: Representing and Mining Material Space Using Structural and Electronic Fingerprints
Olexandr Isayev, Denis Fourches, Eugene N. Muratov +4
As the proliferation of high-throughput approaches in materials science is increasing the wealth of data in the field, the gap between accumulated-information and derived-knowledge…