1 January 2025 to 28 February 2025
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Europe/Berlin timezone

Artificial intelligence and machine learning tools for time-reolved and tomographic data in materials science and catalysis

1 Jan 2025, 09:30
5m
Online

Online

Speaker

Jan-Dierk Grunwaldt (Karlsruhe Institute of Technology)

Description

In functional materials like catalysts we deal with a very high amount of correlated data analysed by spectroscopy/microscopy/scatteringin combination with function (e.g. infrared/gaschromatography/mass spectroscopy data). Hence, this results in not only 3D but also 4D- and 5D-data sets. The challenge are high amount of data, where we seek for collaborations. In addition, machine learning tools could be particularly interesting when several species are present.
In fact, we are interested in correlating tomographic X-ray diffraction with further techniques including operando studies. This would result in new insights in our field and improved catalyst design - materials that are used for > 90% of all chemical products applied around the globe.

What is your field and role?

Catalysis, physical chemistry, materials science, chemical engineering

What is your expertise in computing and / or software development?

Expertise: long term experience in use of tools for data analysis

Please describe your expertise/areas in which you would like to contribute / advise.

Expertise in catalysis, operando spectroscopy and tomography

Please describe areas in which you can contribute to “data handling” teaching.

Good-practice in large scale facilities, data bases

Please describe areas in which you would like to improve your knowledge / skills.

Data mining, machine learning tools, use for operando and tomographic data

My current most burning research question, I like to find partners for, is:

Most burning tasks: How can we exploit better and find links between AI & ML for data handling for operando XAS data as well as XRD/XAS/XRF-... Tomography: Data analysis and handling

In ErUM-Data, what kind of data are you dealing with?

Kind of data: 3D-, 4D- or even 5D-data, correlative techniques, tomography with function of temeprature, gas atmosphere, time

Your ErUM - Committee is KFS - Komitee für Forschung mit Synchrotronstrahlung
Do you consent to the data usage and public abstract data posting in the ErUM-Data Community Information Exchange? Yes

Primary author

Jan-Dierk Grunwaldt (Karlsruhe Institute of Technology)

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