Doktorandenforschung am LIST · gefördert vom FNR

Bessere Polymerschichten mit weniger Experimenten.

POLYSUN stellt Schichten aus konjugierten Polymeren aus der Gasphase her. Ein KI-Modell wählt per Bayes’scher Optimierung das nächste Experiment.

Tippen Sie auf die Karte, um ein Experiment durchzuführen. Finden Sie den Gipfel?

Das Projekt

Chemie, die aus jedem Versuch lernt

Weniger Versuche: Ein KI-Modell lernt aus jedem Ergebnis und schlägt das nächste Experiment vor.

Konjugierte Polymere leiten Strom und wechselwirken mit Licht. Als dünne Schichten sind sie deshalb für Elektronik, Sensoren und Elektrochemie nützlich. POLYSUN stellt sie durch oxidative chemische Gasphasenabscheidung (oCVD) her: Monomer und Oxidationsmittel werden im Vakuum verdampft und reagieren direkt auf der Oberfläche, ohne Lösungsmittel.

Die Eigenschaften der Schicht hängen von vielen Bedingungen gleichzeitig ab, etwa von Temperaturen und Reaktantenverhältnissen. Statt sie einzeln zu testen, nutzt POLYSUN Bayes’sche Optimierung mit Gauß-Prozess-Regression: Nach jedem Experiment wird ein statistisches Modell aktualisiert und schlägt das aufschlussreichste nächste Experiment vor.

Außerdem automatisiert das Projekt die oCVD-Anlage, damit Optimierer, Gerät und Messungen in einem geschlossenen Kreislauf zusammenarbeiten.

Herstellen

Polymerschichten per oCVD aus der Gasphase, ohne Lösungsmittel.

Lernen

Ein Gauß-Prozess-Modell wird nach jedem Experiment aktualisiert.

Entscheiden

Bayes’sche Optimierung wählt das nächste Experiment.

Wollen Sie sehen, was der Optimierer macht? Probieren Sie es selbst.

Das Spiel

Schlagen Sie den Optimierer?

Finden Sie die besten Bedingungen einer fiktiven Reaktion, dann versucht es ein KI-Modell (ein Bayes’scher Optimierer). Wer weniger Experimente braucht, gewinnt.

Optimize This!

Kostenloses Lernspiel. Kein Konto, keine Werbung, läuft im Browser.

2Formate
5Modifikatoren
0Konto oder Werbung
▶ Im Browser spielen

Der Forscher

Jonathan Hadji-Minaglou

Doktorand am LIST und an der Universität Luxemburg

Ich bin Chemiker und arbeite an der Schnittstelle von Materialwissenschaft und maschinellem Lernen. In POLYSUN, das im September 2025 begann, stelle ich Schichten aus konjugierten Polymeren durch oxidative chemische Gasphasenabscheidung (oCVD) her und nutze Bayes’sche Optimierung mit Gauß-Prozess-Regression, um das nächste Experiment zu wählen. Außerdem habe ich die oCVD-Anlage automatisiert und die Software geschrieben, die diese Optimierungskampagnen steuert.

Neben dem Labor habe ich Optimize This! entwickelt, um zu zeigen, wie Bayes’sche Optimierung funktioniert, und ich stelle das Projekt auf Konferenzen und Sommerschulen vor, unter anderem mit Posterpreisen bei HYMAT und an der AiMat-Sommerschule (KIT).

Betreuer Matthias Rupp Leiter der Gruppe Process modelling, automation and robotisation (PROMAR) am LIST
Kontakt aufnehmen
Was ist bisher daraus entstanden?

Publikationen

Erste Publikationen in Vorbereitung

    Begutachtete Artikel, Preprints und Datensätze aus POLYSUN erscheinen hier, sobald sie veröffentlicht sind.

    Wer macht es möglich?

    Förderung

    Gefördert vom FNR

    Das Projekt POLYSUN wird vom Luxembourg National Research Fund (FNR) im Rahmen seines AFR-Programms für Doktorandenforschung gefördert.

    FNR-Referenz AFR 19478064

    Die Forschung findet am Luxembourg Institute of Science and Technology (LIST) statt, im Rahmen einer Promotion an der Universität Luxemburg.

    Luxembourg National Research Fund (FNR) Luxembourg Institute of Science and Technology (LIST) University of Luxembourg

    Die rechtlichen Texte sind auf Englisch verfügbar.

    Web site editor

    This web site is edited by the Luxembourg Institute of Science and Technology (LIST). For any question concerning this web site or its content, do not hesitate to contact us:

    Luxembourg Institute of Science and Technology
    Attn: Jonathan HADJI-MINAGLOU
    5, avenue des Hauts Fourneaux
    L-4362 Esch-sur-Alzette
    Luxembourg

    Email: jonathan.minaglou [at] list [dot] lu
    RCS number: J53
    VAT number: LU 27327040

    Purpose

    The purpose of this website is to present and make available the educational application “Optimize This!” developed by LIST in the framework of the “POLYSUN” research project.

    Funding

    The project “POLYSUN” is supported by the National Research Fund, Luxembourg.

    Luxembourg National Research Fund (FNR)

    Use of this website

    LIST accepts no responsibility with regard to:

    This web site may provide links to sites that are not under LIST’s control. Therefore, we accept no responsibility with any of their content, products or services.

    The present liability section is not intended to limit any requirements laid down in applicable law or to exclude liability for matters which may not be excluded under applicable law.

    Intellectual Property

    This website (including any text, image, video or software) is protected by Intellectual Property, including copyright, trademarks and patents. LIST (and its licensors) reserves all these rights.

    © 2026, all rights reserved.

    Modifications

    We may change this legal notice at any time and without any prior notice.

    Applicable law and jurisdiction

    This legal notice and the use of this website shall be governed by the law of Luxembourg and any related litigation subject to the exclusive Luxembourg jurisdiction.

    LIST’s privacy notice applies to this website: www.list.lu/privacy-notice. LIST’s general legal notice: www.list.lu/legal-notice.

    Terms of use – Optimize This!

    Die rechtlichen Texte sind auf Englisch verfügbar.

    Version 1: 4 November 2026

    1. Description of the application

    Optimize This! is an educational application (hereafter the “Application”) that helps a wide audience understand how Bayesian Optimization using Gaussian Process Regression works, and develop an intuition for it, by competing against the optimizer.

    Each game starts with a fictive scenario chosen randomly by the Application. It sets out your role, your project, the parameters to optimize, the price per experiment and the time per experiment. The goal is to maximize the yield of a fictive chemical reaction in as few experiments as possible.

    In the standard format, the human player first optimizes the reaction by tweaking the reaction parameters. The Bayesian Optimizer (Matérn 5/2 kernel, Expected Improvement acquisition function) then optimizes the same reaction. In the alternative “Alternating turns” format, the player and the Optimizer take turns on the same landscape, and the first to reach the target wins. The winner is the one who optimizes the reaction in the fewest steps.

    Optional modifiers are:

    After each game you can play again and find supplementary information on the end screen about how Bayesian Optimization via Gaussian Process Regression works. Modes and features may change over time.

    Optimize This! was developed by the Luxembourg Institute of Science and Technology (LIST) as part of the project “POLYSUN”, supported by the National Research Fund, Luxembourg.

    2. Educational and fictional nature

    Scenarios, reactions, parameters, costs, durations, yields and purity values are fictive or generated for gameplay. They are not experimental results or recommendations. Do not use them for safety, engineering, commercial or scientific decisions about real experiments or chemical processes. The Application is a simplified teaching tool and does not claim to be a complete or universally applicable account of Bayesian Optimization.

    The Application is intended for use by adults, including teachers and other educators. Teachers, schools and other educational organisations that make the Application available to minors are responsible for appropriate supervision of that use.

    3. Permitted use

    By accessing or using the Application, you accept these terms and commit in using the Application in accordance with them as well as all applicable laws and regulations, and any rules or instructions displayed in the Application. In particular, you must not:

    4. Access

    The Application is made available free of charge and no login is required.

    LIST may modify, suspend or discontinue all or part of the application, including for maintenance, security, technical or legal reasons.

    5. Intellectual property and copyright

    © 2026 Luxembourg Institute of Science and Technology (LIST). All rights reserved in LIST’s own code and content. Except as permitted by applicable law or by LIST in writing, copying or redistributing them is prohibited. Third-party components are the property of their respective owners and are used under their own licences (see section 6).

    Subject to these terms, LIST grants you a non-exclusive, non-transferable, revocable right to access and use the Application for personal, educational and non-commercial purposes. You acquire no ownership or other intellectual property rights. Without LIST’s prior written permission, you may not copy, redistribute, publicly communicate, sell or create derivative works from LIST’s own code and content.

    The name “LIST” and its logo are the property of LIST and may not be used without permission.

    6. Third-party components

    All components distributed with the software are under permissive, non-copyleft licences (MIT, ISC, 0BSD, BSD-3-Clause and Apache-2.0). They remain subject to their own licences. Copyright notices and licence texts are available in the Application under Open-source licences.

    7. Data protection

    LIST does not collect or process personal data through the Application, and the Application does not use advertising, analytics or tracking tools. If you contact LIST by email, the information you send is processed only to answer your request. Personal data may also be processed when you visit this website. Further information is available in the Legal Notice.

    8. Disclaimer and liability

    The Application is provided “as is” and “as available”, without warranty of any kind, express or implied, including accuracy, completeness, merchantability, fitness for a particular purpose and non-infringement. LIST does not guarantee uninterrupted or error-free operation. It may suspend, modify or discontinue all or part of the Application at any time, including for maintenance, security, technical or legal reasons, and may block access in case of breach of these terms. LIST is not liable for failures or delays caused by events beyond its reasonable control.

    To the maximum extent permitted by law, LIST is not liable for any indirect, special, incidental or consequential damages, or for loss of data, arising from the use of or inability to use the Application.

    9. Changes to these terms

    The current version is the version published on this website. Each amended version replaces the previous one from its effective date and applies to your use of the Application from that date. Previous versions are available on request. You are invited to consult these Terms regularly before using the Application.

    10. Applicable law and jurisdiction

    These terms are governed by Luxembourg law. The courts of Luxembourg have exclusive jurisdiction over disputes arising from these terms or the use of the Application.

    11. Contact

    For any questions about the Application or these terms please contact: jonathan.minaglou [at] list [dot] lu.

    Terms of use – Optimize This! Android app

    Die rechtlichen Texte sind auf Englisch verfügbar.

    Version 1: 4 November 2026

    1. Description of the application

    Optimize This! is an educational application (hereafter the “Application”) that helps a wide audience understand how Bayesian Optimization using Gaussian Process Regression works, and develop an intuition for it, by competing against the optimizer.

    Each game starts with a fictive scenario chosen randomly by the Application. It sets out your role, your project, the parameters to optimize, the price per experiment and the time per experiment. The goal is to maximize the yield of a fictive chemical reaction in as few experiments as possible.

    In the standard format, the human player first optimizes the reaction by tweaking the reaction parameters. The Bayesian Optimizer (Matérn 5/2 kernel, Expected Improvement acquisition function) then optimizes the same reaction. In the alternative “Alternating turns” format, the player and the Optimizer take turns on the same landscape, and the first to reach the target wins. The winner is the one who optimizes the reaction in the fewest steps.

    Optional modifiers are:

    After each game you can play again and find supplementary information on the end screen about how Bayesian Optimization via Gaussian Process Regression works. Modes and features may change over time.

    Optimize This! was developed by the Luxembourg Institute of Science and Technology (LIST) as part of the project “POLYSUN”, supported by the National Research Fund, Luxembourg.

    2. Educational and fictional nature

    Scenarios, reactions, parameters, costs, durations, yields and purity values are fictive or generated for gameplay. They are not experimental results or recommendations. Do not use them for safety, engineering, commercial or scientific decisions about real experiments or chemical processes. The Application is a simplified teaching tool and does not claim to be a complete or universally applicable account of Bayesian Optimization.

    The Application is intended for use by adults, including teachers and other educators. Teachers, schools and other educational organisations that make the Application available to minors are responsible for appropriate supervision of that use.

    3. Permitted use

    By accessing or using the Application, you accept these terms and commit in using the Application in accordance with them as well as all applicable laws and regulations, and any rules or instructions displayed in the Application. In particular, you must not:

    4. Access

    The Application is made available free of charge and no login is required.

    LIST may modify, suspend or discontinue all or part of the application, including for maintenance, security, technical or legal reasons.

    5. Intellectual property and copyright

    © 2026 Luxembourg Institute of Science and Technology (LIST). All rights reserved in LIST’s own code and content. Except as permitted by applicable law or by LIST in writing, copying or redistributing them is prohibited. Third-party components are the property of their respective owners and are used under their own licences (see section 6).

    Subject to these terms, LIST grants you a non-exclusive, non-transferable, revocable right to access and use the Application for personal, educational and non-commercial purposes. You acquire no ownership or other intellectual property rights. Without LIST’s prior written permission, you may not copy, redistribute, publicly communicate, sell or create derivative works from LIST’s own code and content.

    The name “LIST” and its logo are the property of LIST and may not be used without permission.

    6. Third-party components

    All components distributed with the software are under permissive, non-copyleft licences (MIT, ISC, 0BSD, BSD-3-Clause and Apache-2.0). They remain subject to their own licences. Copyright notices and licence texts are available in the Application under Open-source licences.

    7. Google Play

    Your download and use of the Application through Google Play are also subject to the Google Play terms of service.

    Ratings and reviews you post on Google Play are governed by Google’s terms and policies. LIST does not control how Google displays them. If you have concerns about a rating or review, you may report it through Google Play.

    8. Data protection

    LIST does not collect or process personal data through the Application, and the Application does not use advertising, analytics or tracking tools.

    If you contact LIST by email, the information you send is processed only to answer your request. Further information on how LIST processes your personal data is available in LIST’s website.

    If you download the Application from Google Play, Google processes data under its own terms and privacy notice.

    9. Disclaimer and liability

    The Application is provided “as is” and “as available”, without warranty of any kind, express or implied, including accuracy, completeness, merchantability, fitness for a particular purpose and non-infringement. LIST does not guarantee uninterrupted or error-free operation. It may suspend, modify or discontinue all or part of the Application at any time, including for maintenance, security, technical or legal reasons, and may block access in case of breach of these terms. LIST is not liable for failures or delays caused by events beyond its reasonable control.

    To the maximum extent permitted by law, LIST is not liable for any indirect, special, incidental or consequential damages, or for loss of data, arising from the use of or inability to use the Application.

    10. Applicable law and jurisdiction

    These terms are governed by Luxembourg law. The courts of Luxembourg have exclusive jurisdiction over disputes arising from these terms or the use of the Application.

    11. Contact

    Support requests and questions about the Application should be sent to LIST at jonathan.minaglou [at] list [dot] lu. LIST will respond within a reasonable time and will treat urgent issues as a priority.

    12. Changes to these terms

    LIST may amend these Terms from time to time. The current version is the version displayed in the Application. Each amended version replaces the previous one from its effective date and applies to your use of the Application from that date. Previous versions are available on request. You are invited to consult these Terms regularly, including through the Application, before using it. Your continued use of the Application after an amended version takes effect constitutes acceptance of that version, to the extent permitted by applicable law.

    Open-source licences

    Die rechtlichen Texte sind auf Englisch verfügbar.

    The website and the game use the following open-source components. Their authors keep their copyright, and each is used under its own licence.

    Full notices and licence texts: THIRD-PARTY-NOTICES.txt. The font licences are in OFL-Inter.txt and OFL-SpaceGrotesk.txt.

    Third-party notices (Plotly.js, canvas-confetti and others)
    SIL Open Font License – Inter
    SIL Open Font License – Space Grotesk