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Synthetic access to a framework-stabilized and fully sulfided analogue of an Anderson polyoxometalate that is catalytically competent for reduction reactions

Jiaxin Duan, Hafeera Shabbir, Zhihengyu Chen, Wentuan Bi, Qin Liu, Jingyi Sui, Luka Dordević, Samuel I. Stupp, Karena Chapman, Alex B. F. Martinson, Alice Li, Subhadip Goswami, Richard D. Schaller, Rachel Getman, Joseph T. Hupp

Version 2 posted 14 December 2022

350

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Inorganic Chemistry

Working Paper

Combined Machine Learning, Computational and Experimental Analysis of the Iridium(III) Complexes with Red to Near-IR Emission

Anas Karuth, Gerardo Casanola-Martin, Levi Lystrom, Wenfang Sun, Dmitri Kilin, Svetlana Kilina, Bakhtiyor Rasulev

Version 1 posted 30 November 2022

246

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Theoretical and Computational Chemistry

Working Paper

Prediction of Protein pKa with Representation Learning

Hatice Gokcan, Olexandr Isayev

Version 2 posted 10 January 2022

776

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Catalysis

Working Paper

Not that innocent – ammonium ions boost homogeneous light-driven hydrogen evolution

Magdalena Heiland, Ratnadip De, Sven Rau, Benjamin Dietzek-Ivanšić, Carsten Streb

Version 1 posted 18 January 2022

251

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Physical Chemistry

Working Paper

Structure-Based Reaction Descriptors for Predicting Rate Constants by Machine Learning: Application to Hydrogen Abstraction from Alkanes by CH3/H/O Radicals

Yu Zhang, Jinhui Yu, Hongwei Song, Minghui Yang

Version 1 posted 30 May 2023

147

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Energy

Working Paper

Polyaniline - lead composites as inhibitors for hydrogen evolution reaction, relevant for lead-acid batteries

Camila Alves Escanio, Suelem Soares dos Santos, Julia Marchesi Natale, Dalva Alves de Lima Almeida, Vladimir Jesus Trava-Airoldi, Evaldo José Corat

Version 1 posted 25 July 2023

162

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Catalysis

Working Paper

Lateral Charge Migration in 1D Semiconductor-Metal Hybrid Photocatalytic Systems

Mathias Micheel, Kaituo Dong, Lilac Amirav, Maria Wächtler

Version 1 posted 01 February 2023

130

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1

Citations

Theoretical and Computational Chemistry

Working Paper

In Silico Demonstration of Fast Anhydrous Proton Conduction on Graphanol

Siddarth Achar, Leonardo Bernasconi, Ruby DeMaio, Katlyn Howard, J. Karl Johnson

Version 2 posted 23 March 2023

207

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Theoretical and Computational Chemistry

Review

Harvesting Chemical Understanding with Machine Learning and Quantum Computers

Shubin Liu

Version 1 posted 22 December 2023

218

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Energy

Working Paper

Severe Slugging Flow Identification from Topological Indicators

Simone Casolo

Version 2 posted 13 April 2022

313

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Refine Search

71 results in hydrogen evolution, machine learning in Keywords: hydrogen evolution, machine learning

Synthetic access to a framework-stabilized and fully sulfided analogue of an Anderson polyoxometalate that is catalytically competent for reduction reactions

Combined Machine Learning, Computational and Experimental Analysis of the Iridium(III) Complexes with Red to Near-IR Emission

Prediction of Protein pKa with Representation Learning

Not that innocent – ammonium ions boost homogeneous light-driven hydrogen evolution

Structure-Based Reaction Descriptors for Predicting Rate Constants by Machine Learning: Application to Hydrogen Abstraction from Alkanes by CH3/H/O Radicals

Polyaniline - lead composites as inhibitors for hydrogen evolution reaction, relevant for lead-acid batteries

Lateral Charge Migration in 1D Semiconductor-Metal Hybrid Photocatalytic Systems

In Silico Demonstration of Fast Anhydrous Proton Conduction on Graphanol

Harvesting Chemical Understanding with Machine Learning and Quantum Computers

Severe Slugging Flow Identification from Topological Indicators

71 results in Keywords: hydrogen evolution, machine learning