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Materials Science

Working Paper

Ab Initio to activity: Machine learning assisted optimization of high-entropy alloy catalytic activity.

Christian Møgelberg Clausen, Martin Lillebro Striib Nielsen, Jack Kirk Pedersen, Jan Rossmeisl

Version 2 posted 01 June 2022

1,087

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Catalysis

Working Paper

A Flexible Theory for Catalysis: Learning Alkaline Oxygen Reduction on Complex Solid Solutions within the Ag-Pd-Pt-Ru Composition Space

Christian M. Clausen, Olga A. Krysiak, Lars Banko, Jack K. Pedersen, Wolfgang Schuhmann, Alfred Ludwig, Jan Rossmeisl

Version 1 posted 09 May 2023

415

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Catalysis

Working Paper

A Mean-Field Model for Oxygen Reduction Electrocatalytic Activity on High-Entropy Alloys

Jack K. Pedersen, Christian M. Clausen, Lars Erik J. Skjegstad, Jan Rossmeisl

Version 1 posted 31 May 2022

362

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Catalysis

Working Paper

Catalysis of C-N Coupling on High-Entropy Alloys

Mads Kastrup Plenge, Jack Kirk Pedersen, Alexander Bagger, Jan Rossmeisl

Version 1 posted 16 November 2023

260

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Catalysis

Working Paper

N2 dissociation on AuCoFeMoRu high-entropy alloys: Circumventing scaling relations and step dependencies

Oliver Christensen, Ana-Iulia Hutu, Henrik Høgh Kristoffersen, Jan Rossmeisl

Version 2 posted 06 March 2024

325

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Theoretical and Computational Chemistry

Working Paper

Developing Cheap but Useful Machine Learning based Models for Investigating High-Entropy Alloy Catalysts

Chenghan Sun, Rajat Goel, Ambarish Kulkarni

Version 1 posted 20 November 2023

160

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Catalysis

Working Paper

High-Entropy Alloys as Catalysts for the CO2 and CO Reduction Reactions

Jack Pedersen, Thomas Batchelor, Alexander Bagger, Jan Rossmeisl

Version 1 posted 20 September 2019

1,668

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Refine Search

7 results in High-Entropy Alloys in Keywords: High-Entropy Alloys

Ab Initio to activity: Machine learning assisted optimization of high-entropy alloy catalytic activity.

A Flexible Theory for Catalysis: Learning Alkaline Oxygen Reduction on Complex Solid Solutions within the Ag-Pd-Pt-Ru Composition Space

A Mean-Field Model for Oxygen Reduction Electrocatalytic Activity on High-Entropy Alloys

Catalysis of C-N Coupling on High-Entropy Alloys

N2 dissociation on AuCoFeMoRu high-entropy alloys: Circumventing scaling relations and step dependencies

Developing Cheap but Useful Machine Learning based Models for Investigating High-Entropy Alloy Catalysts

High-Entropy Alloys as Catalysts for the CO2 and CO Reduction Reactions

7 results in Keywords: High-Entropy Alloys