Search Results - Nandy, Aditya

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  1. 1
    New Strategies for Direct Methane-to-Methanol Conversion from Active Learning Exploration of 16 Million Catalysts

    New Strategies for Direct Methane-to-Methanol Conversion from Active Learning Exploration of 16 Million Catalysts by Nandy, Aditya, Duan, Chenru, Goffinet, Conrad, Kulik, Heather J.

    Published 2022
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  2. 2
    Detection of multi-reference character imbalances enables a transfer learning approach for virtual high throughput screening with coupled cluster accuracy at DFT cost

    Detection of multi-reference character imbalances enables a transfer learning approach for virtual high throughput screening with coupled cluster accuracy at DFT cost by Duan, Chenru, Chu, Daniel B. K., Nandy, Aditya, Kulik, Heather J.

    Published 2022
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  3. 3
    A quantitative uncertainty metric controls error in neural network-driven chemical discovery

    A quantitative uncertainty metric controls error in neural network-driven chemical discovery by Janet, Jon Paul, Duan, Chenru, Yang, Tzuhsiung, Nandy, Aditya, Kulik, Heather J.

    Published 2019
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  4. 4
    MOFSimplify, machine learning models with extracted stability data of three thousand metal–organic frameworks

    MOFSimplify, machine learning models with extracted stability data of three thousand metal–organic frameworks by Nandy, Aditya, Terrones, Gianmarco, Arunachalam, Naveen, Duan, Chenru, Kastner, David W., Kulik, Heather J.

    Published 2022
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  5. 5
    Seeing Is Believing: Experimental Spin States from Machine Learning Model Structure Predictions

    Seeing Is Believing: Experimental Spin States from Machine Learning Model Structure Predictions by Taylor, Michael G., Yang, Tzuhsiung, Lin, Sean, Nandy, Aditya, Janet, Jon Paul, Duan, Chenru, Kulik, Heather J.

    Published 2020
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  6. 6
    Highly effective ammonia removal in a series of Brønsted acidic porous polymers: investigation of chemical and structural variations

    Highly effective ammonia removal in a series of Brønsted acidic porous polymers: investigation of chemical and structural variations by Barin, Gokhan, Peterson, Gregory W., Crocellà, Valentina, Xu, Jun, Colwell, Kristen A., Nandy, Aditya, Reimer, Jeffrey A., Bordiga, Silvia, Long, Jeffrey R.

    Published 2017
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  7. 7
    A Modular Approach to Creating Large Engineered Cartilage Surfaces

    A Modular Approach to Creating Large Engineered Cartilage Surfaces by Ford, Audrey C., Chui, Wan Fung, Zeng, Anne Y., Nandy, Aditya, Liebenberg, Ellen, Carraro, Carlo, Kazakia, Galateia, Alliston, Tamara, O’Connell, Grace D.

    Published 2017
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  8. 8
    Understanding the diversity of the metal-organic framework ecosystem

    Understanding the diversity of the metal-organic framework ecosystem by Moosavi, Seyed Mohamad, Nandy, Aditya, Jablonka, Kevin Maik, Ongari, Daniele, Janet, Jon Paul, Boyd, Peter G., Lee, Yongjin, Smit, Berend, Kulik, Heather J.

    Published 2020
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