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RESEARCH PAPER · The Journal of Physical Chemistry B · 2020

The Journal of Physical Chemistry A/B/C Virtual Special Issue on Machine Learning in Physical Chemistry

Andrew L. Ferguson, Johannes Hachmann, Thomas F. Miller, Jim Pfaendtner

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The Journal of Physical Chemistry A/B/C Virtual Special Issue on Machine Learning in Physical ChemistryOriginalDeep learning methods for the computation of vibrational wavefunctions6Adapting reservoir computing to solve the Schrödinger equation2Optimization of Fire Protection Systems Using Machine Learning : Application to Intumescent Systems0Machine learning delta-T noise for temperature bias estimation2Linear Support Vector Machine Model of an IR Spectral Library: Application to Skin Cancer2Interpretable, low-compute machine learning integrating experimental and catalytic descriptors for sustainable CO 2 electroreduction1

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  1. Deep learning methods for the computation of vibrational wavefunctions

    Communications in Nonlinear Science and Numerical Simulation · 2021-08-31

    Laia Domingo, F. Borondo

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  2. Adapting reservoir computing to solve the Schrödinger equation

    Chaos An Interdisciplinary Journal of Nonlinear Science · 2022-06-01

    Laia Domingo, J. Borondo, F. Borondo

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  3. Optimization of Fire Protection Systems Using Machine Learning : Application to Intumescent Systems

    Unknown journal · 2024-12-17

    Eric Verret

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  4. Machine learning delta-T noise for temperature bias estimation

    The Journal of Chemical Physics · 2025-02-26

    Matthew Gerry, Jonathan J. Wang, Joanna Li, Ofir Shein-Lumbroso, Oren Tal, Dvira Segal

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  5. Linear Support Vector Machine Model of an IR Spectral Library: Application to Skin Cancer

    ACS Omega · 2025-12-17

    Rebecca C. Bradley, Justin D. Erwin, Tatiana M. Oberyszyn, Kathleen L. Tober, Charles L. Hitchcock, Heather Cecile Allen, James V. Coe

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  6. Interpretable, low-compute machine learning integrating experimental and catalytic descriptors for sustainable CO 2 electroreduction

    Green Chemistry · 2026-01-01

    Brianna R. Farris, Josh Meckstroth, Kevin C. Leonard

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