820 citations · 2.1k across the 9 of their papers we have counts for
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physics.chem-ph2016★ 1 cited
Mapping and Classifying Molecules from a High-Throughput Structural Database
Sandip De, Felix Musil, Teresa Ingram +2
High-throughput computational materials design promises to greatly accelerate the process of discovering new materials and compounds, and of optimizing their properties. The large…
cond-mat.mtrl-sci2016★ 820 cited
Comparing molecules and solids across structural and alchemical space
Sandip De, Albert P. Bartók, Gábor Csányi +1
Evaluating the (dis)similarity of crystalline, disordered and molecular compounds is a critical step in the development of algorithms to navigate automatically the configuration sp…