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3 results in Authors: Shi Xuan Leong

Theoretical and Computational Chemistry

In silico chemical experiments in the Age of AI: From quantum chemistry to machine learning and back

Abdulrahman Aldossary, Jorge Arturo Campos-Gonzalez-Angulo, Sergio Pablo-Garcia, Shi Xuan Leong, Ella Miray Rajaonson, Luca Thiede, Gary Tom, Andrew Wang, Davide Avagliano, Alan Aspuru-Guzik

Version 2 posted 02 May 2024

2,357

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Organic Chemistry

Automated electrosynthesis reaction mining with multimodal large language models (MLLMs)

Shi Xuan Leong, Sergio Pablo-García, Zijian Zhang, Alán Aspuru-Guzik

Version 1 posted 11 July 2024

937

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1

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Materials Science

Steering towards safe self-driving laboratories

Shi Xuan Leong, Caleb E. Griesbach, Rui Zhang, Kourosh Darvish, Yuchi Zhao, Abhijoy Mandal, Yunheng Zou, Han Hao, Varinia Bernales, Alán Aspuru-Guzik

Version 1 posted 23 December 2024

103

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