Connecting Vibrational Spectroscopy to Atomic Structure via Supervised Manifold Learning: Beyond Peak Analysis

Vizoso, Daniel; Subhash, Ghatu; Rajan, Krishna; Dingreville, Rémi

doi:10.1021/acs.chemmater.2c03207

Connecting Vibrational Spectroscopy to Atomic Structure via Supervised Manifold Learning: Beyond Peak Analysis

Journal Article · Mon Jan 23 23:00:00 EST 2023 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.2c03207· OSTI ID:1915669

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Center for Integrated Nanotechnologies, Sandia National Laboratories, Albuquerque, New Mexico87185, United States
Department of Mechanical and Aerospace Engineering, University of Florida, Gainesville, Florida32611, United States
Department of Materials Design and Innovation, University at Buffalo, Buffalo, New York14260, United States

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Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: NA0003525

OSTI ID:: 1915669

Alternate ID(s):: OSTI ID: 2311712
OSTI ID: 1924487

Journal Information:: Chemistry of Materials, Journal Name: Chemistry of Materials Journal Issue: 3 Vol. 35; ISSN 0897-4756

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Connecting Vibrational Spectroscopy to Atomic Structure via Supervised Manifold Learning: Beyond Peak Analysis

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Connecting Vibrational Spectroscopy to Atomic Structure via Supervised Manifold Learning: Beyond Peak Analysis

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