GuanHua Chen

National Taiwan University — Taiwan

Physics and Astronomy · Physical Sciences

38h-index4.6kcitations214works7.22yr avg
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Research Topics

Quantum and electron transport phenomena(35), Molecular Junctions and Nanostructures(31), Spectroscopy and Quantum Chemical Studies(29), Advanced Chemical Physics Studies(22), Machine Learning in Materials Science(22)

Publications214 total

A foundation machine learning potential with polarizable long-range interactions for materials modelling
Nature Communications·2025· 2 citedOpen Access
Machine-learning-enhanced density functional theory calculations
The Journal of Chemical Physics·2025· 1 cited
AI-Based General Solution for Automated TCAD Parameter Calibration: Case Studies on TFT Devices
IEEE Transactions on Electron Devices·2025· 1 cited
CALM Before the STORM: Unlocking Native Reasoning for Optimization Modeling
arXiv (Cornell University)·2025Open Access
Substituent-Tuned Dipole and Coordination Geometry in Methoxybenzohydrazides for Stable and Efficient Inverted Perovskite Solar Cells
Nano Letters·2025
Advantage of utilizing nonlocal magic resource in Haar-random circuits
arXiv (Cornell University)·2025Open Access
Dynamic Single-Atom Catalysts on Gallium To Overcome the Scaling Relationship Limit: AIMD Screening for CO<sub>2</sub> Reduction and Hydrogen Evolution Reactions
JACS Au·2025· 3 citedOpen Access
Mitigating error cancellation in density functional approximations via machine learning correction
The Journal of Chemical Physics·2025· 2 cited
Machine Learning Accurate Exchange–Correlation Potentials for Reducing Delocalization Error in Density Functional Theory
JACS Au·2025· 1 citedOpen Access
Amorphous Nitride‐chloride Solid‐State Electrolytes for High Performance All‐Solid‐State Lithium Batteries
Angewandte Chemie International Edition·2025
Amorphous Nitride‐chloride Solid‐State Electrolytes for High Performance All‐Solid‐State Lithium Batteries
Angewandte Chemie·2025· 2 cited
Stacked AFE-Like/FE HZO (4.5nm) to Achieve 0.75V Operating Voltage and Record Endurance Exceeding 7E12 Using Water Quenching and TiN Top Electrodes
2025
O/H Supercritical Fluid Passivation on Stacked Ge<sub>0.95</sub>Si<sub>0.05</sub> Nanosheet nFETs
2025
Pi-SQL: Enhancing Text-to-SQL with Fine-Grained Guidance from Pivot Programming Languages
arXiv (Cornell University)·2025Open Access
Accurate Prediction of Open-Circuit Voltages of Lithium-Ion Batteries via Delta Learning
Journal of Chemical Theory and Computation·2025· 2 citedOpen Access
Coupled electrochemical-thermal analysis of the novel TESLA-type large format 4680 cylindrical lithium-ion battery under normal and extreme conditions
Journal of Power Sources·2025· 7 citedOpen Access
Structured-Defect Engineering of Hexagonal Boron Nitride for Identified Visible Single-Photon Emitters
ACS Nano·2025· 20 citedOpen Access
A general protocol for phosphorescent platinum(II) complexes: generation, high throughput virtual screening and highly accurate predictions
Materials Futures·2025· 2 citedOpen Access
Constructing Anion Solvation Microenvironment Toward Durable High‐Voltage Sodium‐Based Batteries
Advanced Materials·2025· 8 citedOpen Access
Nonprecious Triple-Atom Catalysts with Ultrahigh Activity for Electrochemical Reduction of Nitrate to Ammonia: A DFT Screening
ACS Applied Materials & Interfaces·2025· 6 citedOpen Access
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Frequent Co-authors

ChiYung Yam(11), Xiao Zheng(9), William A. Goddard(7), Lihong Hu(7), Shuguang Chen(6), Zhong‐Min Su(5), Heng Tian(4), YanHo Kwok(4), Yu Zhang(4), Fan Wang(3), Chi Yung Yam(3), LaiHo Wong(3), SiuKong Koo(3), Min Zhang(3), Li‐Kai Yan(3), Stanislav Markov(3), Hang Xie(3), Thomas Frauenheim(3), Lingyi Meng(3), Daqi Lu(2)