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Yaoguang Zhai

4 results in Authors: Yaoguang Zhai

Theoretical and Computational Chemistry

A “short blanket” dilemma for a state-of-the-art neural network potential for water: Reproducing experimental properties or the physics of the underlying many-body interactions?

Yaoguang Zhai, Alessandro Caruso, Sigbjørn L. Bore, Zhishang Luo, Francesco Paesani

Version 5 posted 01 February 2023

1,515

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Theoretical and Computational Chemistry

Active Learning of Many-Body Configuration Space: Application to the Cs+–water MB-nrg Potential Energy Function as a Case Study

Yaoguang Zhai, Alessandro Caruso, Sicun Gao, Paesani Lab

Version 1 posted 23 January 2020

740

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Physical Chemistry

Pinpointing the Location of the Elusive Liquid-Liquid Critical Point in Water

Francesco Sciortino, Yaoguang Zhai, Sigbjørn L. Bore, Francesco Paesani

Version 2 posted 27 August 2024

499

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Theoretical and Computational Chemistry

Many-body interactions and deep neural network potentials for water

Yaoguang Zhai, Richa Rashmi, Etienne Palos, Francesco Paesani

Version 1 posted 21 March 2024

458

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