检索结果 - Nandy, Aditya

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

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

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

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

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

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

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

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

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