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Yuqing Huang

2 results in Authors: Yuqing Huang

Organic Chemistry

Towards Global Feasibility Prediction and Robustness Estimation of Organic Chemical Reactions with High Throughput Experimentation Data and Bayesian Deep Learning

Haowen Zhong, Yilan Liu, Haibin Sun, Yuru Liu, Rentao Zhang, Baochen Li, Yi Yang, Yuqing Huang, Fei Yang, Frankie Mak, Klement Foo, Sen Lin, Tianshu Yu, Peng Wang, Xiaoxue Wang

Version 1 posted 01 August 2024

460

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Theoretical and Computational Chemistry

Automatic potential energy surface exploration by accelerated reactive MD simulations: from pyrolysis to oxidation chemistry

Wassja Kopp, Can Huang, Yuqing Zhao, Peiyang Yu, Felix Schmalz, Lukas Krep, Kai Leonhard

Version 1 posted 16 October 2023

1,314

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