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Reactive Machine Learning Interatomic Potentials for Chemistry and Materials Science

Authors: Jisu Kim,Hyunsung Cho,Haekwan Jeon,Jisu Jung,Seungwu Han
Journal: Chemical Reviews
Publisher: American Chemical Society (ACS)
Publish date: 2026-4-8
ISSN: 0009-2665 DOI: 10.1021/acs.chemrev.5c00728
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1. GemNet is cited as ref 52 (should be ref 32); M3GNet as ref 53 (should be ref 52); CHGNet as ref 54 (should be ref 53). 
2. Section 3.3.1: The text states “SPICE data set targets inorganic molecular systems.” SPICE (Small-molecule/Protein Interaction Chemical Energies) is a dataset of drug-like organic molecules and protein–ligand complexes, not inorganic systems. This is a clear factual mischaracterization.
3. Section 3.2.1: The text says “across four representative surfaces (+c, −c, and m planes)”—listing only three planes while claiming four. Figure 18b actually shows four surfaces (+c, −c, m, and a). The text should read “+c, −c, m, and a planes.”

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