Publications by authors named "Pinwen Guan"

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Large-scale experimental validation of thermochemical water-splitting oxides discovered by defect graph neural networks.
Tyra C Douglas, Michael J Dzara, Andrew J E Rowberg, Keith A King, Maria Syrigou, Pin-Wen Guan

Mater Horiz· October 2025

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Differentiable modeling and optimization of non-aqueous Li-based battery electrolyte solutions using geometric deep learning.
Shang Zhu, Bharath Ramsundar, Emil Annevelink, Hongyi Lin, Adarsh Dave, Pin-Wen Guan

Nat Commun· October 2024

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Accurate Surface and Finite-Temperature Bulk Properties of Lithium Metal at Large Scales Using Machine Learning Interaction Potentials.
Mgcini Keith Phuthi, Archie Mingze Yao, Simon Batzner, Albert Musaelian, Pinwen Guan

ACS Omega· March 2024

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Phase Diagrams of Alloys and Their Hydrides via On-Lattice Graph Neural Networks and Limited Training Data.
Matthew D Witman, Norman C Bartelt, Sanliang Ling, Pin-Wen Guan, Lauren Way

J Phys Chem Lett· February 2024

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Low-Pressure Electrochemical Synthesis of Complex High-Pressure Superconducting Superhydrides.
Pin-Wen Guan, Ying Sun, Russell J Hemley, Hanyu Liu, Yanming Ma

Phys Rev Lett· May 2022

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Combining pressure and electrochemistry to synthesize superhydrides.
Pin-Wen Guan, Russell J Hemley, Venkatasubramanian Viswanathan

Proc Natl Acad Sci U S A· November 2021

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Uncertainty quantification of DFT-predicted finite temperature thermodynamic properties within the Debye model.
Pin-Wen Guan, Gregory Houchins, Venkatasubramanian Viswanathan

J Chem Phys· December 2019

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A hybrid functional study of native point defects in CuSnS: implications for reducing carrier recombination.
Pin-Wen Guan, Zi-Kui Liu

Phys Chem Chem Phys· December 2017

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