Presentation at Schrödinger
Süleyman will present at the Quarterly Materials Science Lunch and Learn Seminar series of Schrödinger. His presentation is titled New Materials for Energy Transition. This special seminar is aimed for the staff members of the Schrödinger Materials Science around the globe, and it will be broadcasted online on April 16, 2024, at 18:00-19:00.
Presentation at Symposium: ‘Circularity: The New Shape of Chemistry’
Süleyman will present at the Symposium: ‘Circularity: The New Shape of Chemistry’ on May 21, 2024, 09:00-17:45 at TU/e Auditorium, Blauwe Zaal. His presentation is titled Exploring the chemical space through computational screening and AI to discover molecules for energy storage. This special event is organized by T.S.V. ‘Jan Pieter Minckelers’, also known as ‘Japie’, which is the study association of the department of Chemical Engineering and Chemistry at the University of Technology Eindhoven. Japie is an association run by and for students in order to look after the interests of the students of the department and to provide them with the opportunity to develop themselves. Event link is here.
Colloquium at AMOLF
Süleyman will present at the AMOLF Colloquium on Monday, April 8, 2024 at 13:00-14:30. His presentation is titled Towards Autonomous Discovery of Energy Materials. The presentation will provide an overview of our group’s various research projects that merge AI with computational screening for identifying molecules and materials, which can potentially be used for energy conversion and storage.
4TU.High-Tech Materials Workshop
Süleyman will present at the Role of Machine Learning in Molecular Discovery & Scientific Understanding workshop at TU Delft on March 21st, 2024. His presentation is titled Towards Autonomous Discovery of Energy Materials. The event will focus on exploring theoretical machine learning research and their real-world applications in molecular and material discovery. You can find the full program and register on the event page here.
Publication in ACS Catalysis
AI and physics simulations reveal 16 new direct-gap 2D semiconducting materials with potential for enhancing water photocatalysis in hydrogen (H2) production. Our research paper titled Data-Driven Discovery of Intrinsic Direct-Gap 2D Materials as Potential Photocatalysts for Efficient Water Splitting is published in ACS Catalysis. Its pre-print version is freely accessible on ChemRxiv.
Poster presentations at MaterialenNL Conference
Researchers from our AMD group, Xuan Zhou and Yatong Wang, have presented their posters titled: High-throughput computational screening of organic cathode materials for Li/Na-ion batteries and AI-aided discovery of 2D materials, respectively, at the first MaterialenNL Conference! Their posters have received significant interest from a wide group of researchers.
Poster presentations at DUCOMS conference
Xuan Zhou and Yatong Wang have presented their posters titled: High-throughput computational screening of organic cathode materials for Li/Na-ion batteries and AI-aided discovery of 2D materials, respectively, at the first Dutch Computational Science conference – DUCOMS day! This national conference has brought together computational science professionals from all disciplines and career levels, from both academia and industry. The DUCOMS day has addressed the strategic focus areas of the National Agenda Computational Science.
Poster presentations at MPIE in Germany
Xuan Zhou and Yatong Wang have presented their posters titled: High-throughput computational screening of organic cathode materials for Li/Na-ion batteries and ML-aided computational screening of 2D materials for photocatalytic water splitting, respectively, at the New Horizons in Materials Design Workshop organized by Max-Planck-Institut für Eisenforschung (MPIE) in Düsseldorf, Germany, on 17-18 August 2023. Their posters have received attention from several researchers working on the theory and experiments aimed at the design of materials to address the challenges of the 21st century.
Publication in JACS
Our exp-theory collaborative work with the Bio-Organic Chemistry Research Group of TU/e has been published in the Journal of the American Chemical Society. The research paper is titled Polymer Vesicles with Integrated Photothermal Responsiveness, and it proposes a new strategy for designing near-infrared light-mediated photothermal polymer vesicles. In this study, a new class of functionalized polymer vesicles has been developed, which could find potential future use as an interesting platform for synergistic therapy in anticancer treatment.
Presentation at DIFFER PhD colloquium
PhD researcher Yatong Wang from our group has given a presentation titled ML-aided computational screening of 2D materials for photocatalytic water splitting at the DIFFER PhD colloquium on June 14th at DIFFER. Yatong’s presentation has received substantial interest from DIFFER researchers of all levels. The research findings are currently under review and will soon be published publicly.
Publication in Digital Discovery
Our manuscript titled Discovery of lead quinone cathode materials for Li-ion batteries has been published in Digital Discovery from the Royal Society of Chemistry (RSC). In this study, we applied machine learning and semi-empirical quantum mechanical methods to study a chemical space of approximately 200,000 compounds for use as cathode materials in Li-ion batteries. Additionally, by performing an automated search on a commercial vendor database, computing battery-relevant properties, and evaluating the structural integrity upon the lithiation process, a total of 349 molecules were identified as potentially high-performing cathode materials for Li-ion batteries. Furthermore, one example of a candidate compound was tested through cyclic voltammetry experiments, which showed highly promising results.
Seminar at TU Eindhoven
Süleyman Er will present a seminar at the Center for Computational Energy Research (CCER) of Eindhoven Institute for Renewable Energy Systems (EIRES) at Eindhoven University of Technology. The presentation is titled Automatizing the discovery of molecules for energy storage, and it will take place on April 20 between 10:00-11:00 hours at the Disruptor Building, room 0.30. The meeting can also be attended online using the Microsoft Teams link provided here.
Publication in Energy Advances
Our manuscript titled Virtual Screening of Organic Quinones as Cathode Materials for Sodium-Ion Batteries has been published in Energy Advances from the Royal Society of Chemistry (RSC). In this study, we applied a DFT-empowered high-throughput virtual screening study that reckoned with the most essential battery-relevant properties of 448,658 molecules. Among them, we identified 17 highly promising compounds for validation as candidate cathode materials in sodium-ion batteries, which are seen as alternatives to lithium-ion batteries because of the natural abundance, low cost, and high safety of sodium when compared to lithium.
Postdoc AI for Energy Materials
We have open postdoctoral positions for researchers who wish to apply their expertise in machine learning for the design of high-tech energy materials. You will have the opportunity to collaborate with several researchers at DIFFER and to explore novel ideas that will have direct impact on energy transition. See the job description and apply at the DIFFER job portal. For more information concerning the position you may contact [AMD] Group Leader Dr. Süleyman Er. Kindly note that applications must be submitted exclusively via the DIFFER job portal.
Poster presentation at NWO Physics
Yatong Wang, who is a PhD researcher at our [AMD] group, has presented a poster at the annual Dutch Research Council (NWO) Physics Conference on April 4th, 2023. Yatong’s poster had the title of ML-assisted computational discovery of 2D materials for H2 production. The poster has been well-received though a broad community of researchers and visitors of the conference.
Colloquium at TU Delft ChemE
[AMD] head Dr. Süleyman Er will present at the Chemical Engineering Faculty Colloquium of TU Delft on April 3rd at 12:45. His presentation is titled Automatizing the discovery of molecules for energy storage. The meeting will be hosted by Prof. Bernard Dam and it will take place at Waterman-/Franklinzaal B58-A2.110/A2.050. The colloquium is open to all students and researchers of the Chemical Engineering Department.
Presentation at Mat4Sus Symposium
Dr. Süleyman Er will give an invited presentation titled Automating the exploration of electroactive molecules for large-scale energy storage at the Materials for Sustainability (Mat4Sus) Symposium organized by the Dutch Research Council (NWO). The symposium will take place on February 3, 2023 at the Applied Sciences Building of TU Delft and is intended for anyone interested in materials research for sustainability. You can see the final program and register for the event here.
Interview with Business News Radio (BNR)
[AMD] head Süleyman Er has interviewed with Karlijn Meinders for the Wetenschap Vandaag program of the Business News Radio (BNR), which is a Dutch commercial radio station broadcasting news programs only. The interview is concerned with computation and AI-driven materials discovery for energy storage applications. You can read more about the interview here and listen to the podcast (in Dutch) on the BNR website as well as in Spotify, Apple Podcasts, and BNR app with the links therein.