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Dimensional control over metal halide perovskite crystallization guided by active learning

Zhi Li, Philip Nega, Mansoor Najeeb, Chaochao Dun, Matthias Zeller, Jeffrey Urban, Wissam Saidi, Joshua Schrier, Alexander Norquist, Emory Chan

Version 1 posted 04 October 2021

538

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Catalysis

Working Paper

Modification of TiO2 with Metal Chalcogenide Nanoclusters for Hydrogen Evolution

Stephen Rhatigan, Lorenzo Niemitz, Michael Nolan

Version 1 posted 03 November 2020

253

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Theoretical and Computational Chemistry

Working Paper

Catch the next designer drug: A comparison of methods for predicting in vitro pharmacological profiles using molecular fingerprints

kedan he

Version 1 posted 12 July 2021

176

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Catalysis

Working Paper

Water Splitting Mediated by an Electrocatalytically Driven Cyclic Process Involving Iron Oxide Species

Marten Huck, Lisa Ring, Karsten Küpper, Johann P. Klare, Diemo Daum, Helmut Schäfer

Version 1 posted 09 April 2020

1,048

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Theoretical and Computational Chemistry

Working Paper

Computational Study of Paxlovid in Ligand GA

Gordon Chalmers

Version 1 posted 10 February 2022

625

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1

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Inorganic Chemistry

Working Paper

Theoretical Study on the Mechanism of Hydrogen Evolution Reaction Catalyzed by Platinum Subnanoclusters

Keita Kuge, Kosei Yamauchi, Ken Sakai

Version 2 posted 12 August 2022

377

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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

197

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Theoretical and Computational Chemistry

Working Paper

Many-body Potential for Simulating the Self-Assembly of Polymer-Grafted Nanoparticles in a Polymer Matrix

Yilong Zhou, Sigbjorn Bore, Andrea Tao, Francesco Paesani, Gaurav Arya

Version 1 posted 04 April 2023

253

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1

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Catalysis

Working Paper

Why do sulfone-containing polymer photocatalysts work so well for sacrificial hydrogen evolution from water?

Sam A. J. Hillman, Reiner Sebastian Sprick, Drew Pearce, Duncan Woods, Wai-Yu Sit, Xingyuan Shi, Andrew I. Cooper, James R. Durrant, Jenny Nelson

Version 2 posted 06 July 2022

751

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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

129

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1

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

Dimensional control over metal halide perovskite crystallization guided by active learning

Modification of TiO2 with Metal Chalcogenide Nanoclusters for Hydrogen Evolution

Catch the next designer drug: A comparison of methods for predicting in vitro pharmacological profiles using molecular fingerprints

Water Splitting Mediated by an Electrocatalytically Driven Cyclic Process Involving Iron Oxide Species

Computational Study of Paxlovid in Ligand GA

Theoretical Study on the Mechanism of Hydrogen Evolution Reaction Catalyzed by Platinum Subnanoclusters

In Silico Demonstration of Fast Anhydrous Proton Conduction on Graphanol

Many-body Potential for Simulating the Self-Assembly of Polymer-Grafted Nanoparticles in a Polymer Matrix

Why do sulfone-containing polymer photocatalysts work so well for sacrificial hydrogen evolution from water?

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

68 results in Keywords: hydrogen evolution, machine learning