Tzuhsiung Yang

National Tsing Hua University — Taiwan

Materials Science · Physical Sciences

19h-index1.4kcitations59works2.52yr avg
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Research Topics

Machine Learning in Materials Science(23), Electrocatalysts for Energy Conversion(12), Computational Drug Discovery Methods(10), Crystallization and Solubility Studies(9), Metal-Catalyzed Oxygenation Mechanisms(8)

Publications59 total

Exploring Electrochemical C(sp<sup>3</sup>)–H Oxidation over Fe Complexes: Ligand Effect on the Rate–Bond Dissociation Energy Relationship and Reaction Mechanism
ACS Catalysis·2025Open Access
Overcoming the Tradeoff Between Reaction Rate and Overpotential in Dinuclear Cobalt Complex Catalyzed Electrochemical Water Oxidation
Chemistry - A European Journal·2025· 4 citedOpen Access
Gold-catalyzed bicyclic annulations between 4-hydroxy-1,5-diynamides and nitrones for the synthesis of cyclopentene-fused isoxazole carboxamides
Chemical Communications·2025· 2 cited
Thermodynamic Assessment of Sacrificial Oxidant Potential, H<sub>2</sub>O/O<sub>2</sub> Potential, and Rate–Overpotential Relationship to Examine Catalytic Water Oxidation in Nonaqueous Solvents
Inorganic Chemistry·2024· 1 citedOpen Access
A Bis-Cyclopentadienyl Ligand-Supported Di-Iron Trihydride Motif as a Synthon for Access to Heterobimetallic Trinuclear Complexes
Inorganic Chemistry·2024· 5 citedOpen Access
Manipulating the Rate and Overpotential for Electrochemical Water Oxidation: Mechanistic Insights for Cobalt Catalysts Bearing Noninnocent Bis(benzimidazole)pyrazolide Ligands
ACS Organic & Inorganic Au·2024· 3 citedOpen Access
A Joint Semi-Supervised Variational Autoencoder and Transfer Learning Model for Designing Molecular Transition Metal Complexes
Research Square (Research Square)·2023Open Access
A Joint Semi-Supervised Variational Autoencoder and Transfer Learning Model for Designing Molecular Transition Metal Complexes
2023· 2 citedOpen Access
A Joint Semi-Supervised Variational Autoencoder and Transfer Learning Model for Designing Molecular Transition Metal Complexes
2023· 3 citedOpen Access
Reversible O–O Bond Scission and O <sub>2</sub> Evolution at MOF-Supported Tetramanganese Clusters
Journal of the American Chemical Society·2023· 8 cited
PatentChem - USPTO granted chemistry patents 2001-2023
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
PatentChem - USPTO granted chemistry patents 2001-2023
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Author response for "Automated patent extraction powers generative modeling in focused chemical spaces"
2023
Automated patent extraction powers generative modeling in focused chemical spaces: Training data and model checkpoints release
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Automated patent extraction powers generative modeling in focused chemical spaces: Training data and model checkpoints release
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Inverse design of ligands using a deep generative model semi‐supervised by a data‐driven ligand field strength metric
Journal of the Chinese Chemical Society·2023· 3 citedOpen Access
Automated patent extraction powers generative modeling in focused chemical spaces
arXiv (Cornell University)·2023Open Access
Inverse Design of Ligands Using A Deep Generative Model Semi-supervised by A Data-driven Ligand Field Strength Metric
2023Open Access
A Data-driven Quantification of Ligand Field Strength for the Design of Inorganic Complexes
2023Open Access
Automated patent extraction powers generative modeling in focused chemical spaces
Digital Discovery·2023· 11 citedOpen Access
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Frequent Co-authors

Heather J. Kulik(11), David P. Goldberg(9), Jon Paul Janet(8), Chenru Duan(8), Aditya Nandy(8), John F. Berry(8), Rafael Gómez‐Bombarelli(8), Sam P. de Visser(6), Leland R. Widger(5), Maxime A. Siegler(5), Yu‐Heng Wang(5), Hao-Ting Chang(5), Akshay Subramanian(4), Alexis Gervaix(4), I‐Chung Lu(4), Zhi-Hang Lee(4), Sean Lin(3), Matthew G. Quesne(3), Heather M. Neu(3), Wujie Wang(3)