Work

Manifold Kernelization of Molecular Surface to Encode Quantum Information of Electronic Attributes for Machine Learning

Year: 2025

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.5c01117

Authors: Tonglei Li, Venkata S. Chelagamsetty, Nicolas J. Huls, Ryan T. Jordan

Institution: Purdue University West Lafayette

Language: English

Topic: Machine Learning in Materials Science

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: closed

OpenAlex ID: W4415313878

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Cites: 41

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