Yaoguang Zhai

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 Løland Bore et al. · The Journal of Chemical Physics · 2023 · 75 citations

Many-body Interactions, Geometric Learning, Convolutional Neural Network +22

Constraints on the location of the liquid–liquid critical point in water

Francesco Sciortino, Yaoguang Zhai, Sigbjørn Løland Bore et al. · Nature Physics · 2025 · 27 citations

Liquid-liquid Flow, Fluid Mechanics, Simple Liquid +1

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 et al. · The Journal of Chemical Physics · 2020 · 26 citations

Many-body interactions and deep neural network potentials for water

Yaoguang Zhai, Richa Rashmi, Etienne Palos et al. · The Journal of Chemical Physics · 2024 · 20 citations · Full text

Many-body Interactions, Biophysical Modeling, Engineering +17

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 et al. · 2020 · 13 citations · Full text

Engineering, Machine Learning, Computational Chemistry +24