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Published in Journal of the American Chemical Society, 2019
Investigation of metal-organic framework photoconductivity using time-resolved terahertz spectroscopy techniques.
Recommended citation: Pattengale, B., Neu, J., Ostresh, S., Hu, G., Spies, J.A., Okabe, R., Brudvig, G.W., & Schmuttenmaer, C.A. (2019). Metal-Organic Framework Photoconductivity via Time-Resolved Terahertz Spectroscopy. Journal of the American Chemical Society 141, 9793–9797.
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Published in Chemical Science, 2020
Development and characterization of conductive metal-organic frameworks as photoanodes for solar energy applications.
Recommended citation: Pattengale, B., Freeze, J.G., Guberman-Pfeffer, M., Okabe, R., Ostresh, S., Chaudhuri, S., Batista, V.S., & Schmuttenmaer, C.A. (2020). A Conductive Metal-Organic Framework Photoanode. Chemical Science 11, 9593–9603.
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Published in Journal of Biomolecular NMR, 2021
Development of efficient solvent suppression techniques using adiabatic inversion pulses for 1H-detected solid-state NMR experiments.
Recommended citation: Matsunaga, T., Okabe, R., & Ishii, Y. (2021). Efficient solvent suppression with adiabatic inversion for 1H-detected solid-state NMR. Journal of Biomolecular NMR 12, 365-370.
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Published in iScience, 2022
Development of machine learning classifiers for predicting magnetic properties directly from atomic coordinates.
Recommended citation: Merker, H.A., Heiberger, H., Nguyen, L., Liu, T., Chen, Z., Andrejevic, N., Drucker, N.C., Okabe, R., Wang, Y., Smidt, T., & Li, M. (2022). Machine Learning Magnetism Classifiers from Atomic Coordinates. iScience 25, 10, 105192.
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Published in Synchrotron Radiation News, 2022
Analysis of challenges and opportunities in applying machine learning to neutron and X-ray scattering data analysis.
Recommended citation: Drucker, N.C., Liu, T., Chen, Z., Okabe, R., Chotrattanapituk, A., Nguyen, T., Wang, Y., & Li, M. (2022). Challenges and Opportunities of Machine Learning on Neutron and X-ray Scattering. Synchrotron Radiation News 35, 16-20.
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Published in Chemistry of Materials, 2023
Materials perspective on topological superconductors, covering synthesis, characterization, and applications.
Recommended citation: Mandal, M., Drucker, N.C., Siriviboon, P., Nguyen, T., Boonkird, A., Lamichhane, T.N., Okabe, R., Chotrattanapituk, A., & Li, M. (2023). Topological superconductors from a materials perspective. Chemistry of Materials 35, 16, 6184–6200.
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Published in IEEE Magnetic Letters, 2023
Comprehensive overview of materials informatics approaches for developing and discovering next-generation magnetic materials.
Recommended citation: Okabe, R., Li, M., Iwasaki, Y., Regnault, N., Felser, C., Shirai, M., Kovacs, A., Schrefl, T., & Hirohata, A. (2023). Materials Informatics for the Development and Discovery of Future Magnetic Materials. IEEE Magnetic Letters 14, 1-5.
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Published in arXiv, 2024
Study of incipient nematicity arising from electron flat bands in kagome metal systems.
Recommended citation: Drucker, N.C., Nguyen, T., Mandal, M., Siriviboon, P., Quan, Y., Boonkird, A., Okabe, R., Li, F., Burrage, K., Funuma, F., Matsuda, M., Abernathy, D., Williams, T., Chi, S., Ye, F., Nelson, C., Liao, B., Volkov, P., & Li, M. (2024). Incipient Nematicity from Electron Flat Bands in a Kagome Metal. arXiv preprint arXiv:2401.17141.
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Published in Nature Communications, 2024
Innovative Tetris-inspired detector design combined with neural networks for efficient radiation mapping applications.
Recommended citation: Okabe, R., Xue, S., Vavrek, J., Yu, J., Pavlovsky, R., Negut, V., Quiter, B., Cates, J., Liu, T., Forget, B., Jegelka, S., Kohse, G., Hu, L-W., & Li, M. (2024). Tetris-Inspired Detector with Neural Network for Radiation Mapping. Nature Communications 15, 3061.
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Published in Applied Physics Reviews, 2024
Precise control of Fermi level in topological Weyl semimetals through fast ion implantation techniques.
Recommended citation: Mandal, M., Chotrattanapituk, A., Woller, K., Xu, H., Mao, N., Okabe, R., Boonkird, A., Nguyen, T., Drucker, N.C., Momiki, T., Li, J., Kong, J., & Li, M. (2024). Precise Fermi-level engineering in a topological Weyl semimetal via fast ion implantation. Applied Physics Reviews 11, 021429.
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Published in Matter, 2024
Machine learning approach for detecting Majorana zero modes from zero bias peak measurements in superconducting systems.
Recommended citation: Cheng, M., Okabe, R., Chotrattanapituk, A., & Li, M. (2024). Machine Learning Detection of Majorana Zero Modes from Zero Bias Peak Measurements. Matter 7, 2507.
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Published in Nature Computational Science, 2024
Innovative virtual node graph neural network architecture for comprehensive phonon property prediction from atomic coordinates.
Recommended citation: Okabe, R., Chotrattanapituk, A., Boonkird, A., Andrejevic, N., Fu, X., Jaakkola, T.S., Song, Q., Nguyen, T., Drucker, N.C., Mu, S., Liao, B., Cheng, Y., & Li, M. (2024). Virtual Node Graph Neural Network for Full Phonon Prediction. Nature Computational Science 4, 522-531.
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Published in Journal of Magnetic Resonance, 2024
Development of efficient solvent suppression techniques for solid-state NMR with theoretical analysis of echo-formation mechanisms.
Recommended citation: Matsunaga, T., Okabe, R., & Ishii, Y. (2024). Design of efficient solvent-suppression scheme in solid-state NMR: Echo-formation mechanism and dephasing by adiabatic inversion pulses. Journal of Magnetic Resonance (submitted).
Published in Advanced Materials, 2024
Development of ensemble-embedding graph neural networks for direct prediction of optical spectra from crystal structures.
Recommended citation: Hung, N.T., Okabe, R., Chotrattanapituk, A., & Li, M. (2024). Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structure. Advanced Materials, 2409175.
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Published in arXiv, 2024
Novel application of large language models for predicting quantum material synthesis pathways and conditions.
Recommended citation: Okabe, R., West, Z., Chotrattanapituk, A., Cheng, M., Cordova Carrizales, D., Xie, W., Cava, R.J., & Li, M. (2024). Large Language Model-Guided Prediction Toward Quantum Materials Synthesis. arXiv preprint arXiv:2410.20976.
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Published in arXiv, 2024
Theoretical framework for X-ray photon correlation spectroscopy with quantum mechanical foundations.
Recommended citation: Siriviboon, P., Fu, C., Landry, M., Okabe, R., Cordova Carrizales, D., Wang, Y., & Li, M. (2024). Quantum Theory of X-ray Photon Correlation Spectroscopy. arXiv preprint arXiv:2412.03635.
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Published in Nature Materials, 2025
Comprehensive review of AI-driven approaches for materials design, covering recent advances and future directions in computational materials science.
Recommended citation: Cheng, M., Fu, C., Okabe, R., Chotrattanapituk, A., Boonkird, A., Hung, N.T., & Li, M. (2025). AI-driven materials design: a mini-review. Nature Materials.
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Published in Digital Discovery, 2025
Comprehensive exploration of molecular vibrations and phonons using AI-powered computational methods.
Recommended citation: Han, B., Okabe, R., Chotrattanapituk, A., Cheng, M., Li, M., & Cheng, Y. (2025). AI-Powered Exploration of Molecular Vibrations, Phonons and Spectroscopy. Digital Discovery.
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Published in Advanced Materials, 2025
Application of AI-driven approaches for defect engineering in thermoelectric materials to enhance their performance.
Recommended citation: Fu, C., Cheng, M., Hung, N.T., Rha, E., Chen, Z., Okabe, R., Cordova Carrizales, D., Mandal, M., Cheng, Y.Q., & Li, M. (2025). AI-driven defect engineering in advanced thermoelectric materials. Advanced Materials 37, 2505642.
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Published in Newton, 2025
Machine learning approach to predict and close superconducting gaps in quantum materials.
Recommended citation: Cheng, M., Okabe, R., & Li, M. (2025). Closing the superconducting gap with AI. Newton 1, 100093.
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Published in arXiv, 2025
Experimental study demonstrating control of chiral anomaly signatures in Dirac semimetals through fast-ion implantation techniques.
Recommended citation: Mandal, M., Rha, E., Chotrattanapituk, A., Cordova Carrizales, D., Lygo, A., Woller, K.B., Cheng, M., Okabe, R., Zhu, G., Mak, K., Fu, C.L., Liu, C., Wu, L., Zhu, Y., Stemmer, S., & Li, M. (2025). Tuning Chiral Anomaly Signature in a Dirac Semimetal via Fast-Ion Implantation. arXiv preprint arXiv:2507.17972.
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Published in Nature Materials, 2025
We present a novel approach to integrating structural constraints in generative models for quantum material discovery, enabling more accurate predictions of material properties through advanced machine learning techniques.
Recommended citation: Okabe, R., Cheng, M., Chotrattanapituk, A., Mandal, M., Mak, K., Cordova Carrizales, D., Hung, N.T., Fu, X., Han, B., Wang, Y., Xie, W., Cava, R.J., Jaakkola, T.S., Cheng, Y., Li, M. (2024). Structural Constraint Integration in Generative Model for Discovery of Quantum Material Candidates. Nature Materials.
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Poster presentation on the development of suppression pulse with adiabatic pulse for solid-state NMR experiments.
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Poster presentation on the development of suppression pulse with adiabatic pulse and its application for biological solid-state NMR experiments.
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Poster presentation on theoretical explanation of new solvent suppression scheme with adiabatic pulse and its application for solid-state NMR experiments.
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Oral presentation on the application of radiation detection materials for radiation mapping using machine learning techniques.
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Poster presentation on machine learning approaches for predicting gamma phonons from atomic coordinates.
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Poster presentation on virtual node augmented machine learning for material property prediction at the MRS Spring Meeting.
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Oral presentation on advancing quantum material discovery through structural constraint integration in generative models at the Competing Orders in Quantum Materials conference.
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Poster presentation on virtual node augmented machine learning approaches for material property prediction.
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Invited talk on structural constraint integration in generative models for quantum material discovery at the Quantum Materials for Emergent Applications conference.
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Invited talk on machine learning approaches for studying quantum material properties and quantum material discovery.
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Oral presentation on large language model-guided prediction approaches for quantum materials synthesis.
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Oral presentation on structural constraint integration in generative models for quantum material discovery at the MRS Fall Meeting.
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Graduate Student Award Talk and Poster presentation on advancing quantum material discovery through structural constraint integration in generative models.
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Presentation on structural constraint integration in generative models for quantum material discovery, focusing on advanced machine learning approaches for materials prediction.