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CORDIS - EU research results
CORDIS

Design And Modeling of Oxide Catalysts by machine LEarning and atomistic Simulations

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Deliverables

Communication, Dissemination & Exploitation Plan (opens in new window)

The plan describes the planned measures to maximize the impact of the project, including the dissemination and exploitation measures that are planned, and the target group(s) addressed. Regarding communication measures and public engagement strategy, the aim is to inform and reach out to society and show the activities performed, and the use and the benefits the project will have for citizens.

Data Management Plan (opens in new window)

The Data Management Plan describes the data management life cycle for all data sets that will be collected, processed or generated by the action. It is a document describing what data will be collected, processed or generated and following what methodology and standards, whether and how this data will be shared and/or made open, and how it will be curated and preserved.

Publications

Investigating the error imbalance of large-scale machine learning potentials in catalysis (opens in new window)

Author(s): Kareem Abdelmaqsoud, Muhammed Shuaibi, Adeesh Kolluru, Raffaele Cheula, John R. Kitchin
Published in: Catalysis Science & Technology, 2024, ISSN 2044-4761
Publisher: Royal Society of Chemistry
DOI: 10.1039/D4CY00615A

Role of Cu Oxide and Cu Adatoms in the Reactivity of CO2 on Cu(110) (opens in new window)

Author(s): Sigmund Jensen, Raffaele Cheula, Martin Hedevang, Mie Andersen, Jeppe V. Lauritsen
Published in: Angewandte Chemie International Edition, 2024, ISSN 1521-3773
Publisher: Wiley
DOI: 10.1002/anie.202405554

ACS Catalysis (opens in new window)

Author(s): Raffaele Cheula, Thien An Michael Quoc Tran, and Mie Andersen
Published in: ACS Catalysis, Issue 14, 2024, ISSN 2155-5435
Publisher: ACS Publications
DOI: 10.1021/acscatal.4c03206

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