eScience Center Fellowship for Süleyman Er
The Netherlands eScience Center’s Fellowship Programme supports individuals who promote or improve the awareness, expertise, or state of research software within their lab, institute or academic community. With the Fellowship, [AMD]’s head Süleyman Er will lead the Visualization-enabled navigation through a colossal chemical space project, which is aimed at boosting the existing efforts within [AMD] that fit the purpose of the programme.
New research interns
We welcome our new international research interns Anthony Schaal, Jade Touresse, and Nathan Favriou and Joannes Murigneux. They are enrolled in a variety of master study programmes of University of Strasbourg’s Physics Department in France, including physics-based modeling, data science and artificial intelligence. We wish them success in their challenging research projects at the [AMD] group of DIFFER.
Publication in Chemistry-Methods
ChemPlot is a visualization tool for chemical space of molecular datasets. It features structural and tailored similarity methods, together with three different dimensionality reduction methods. The paper also proposes a metric, the Distance Property Relationship, for quantifying property sensitivity of the visualized chemical spaces. The publication is freely accessible in Chemistry-Methods.
PhD defense: Murat Cihan Sorkun
Murat will defend his thesis entitled Artificial Intelligence-driven Discovery of Materials for Energy Applications on June 1st, 2022, Wednesday at 13:30 in TU/e Atlas building room 0.710. You can also join the defense online using this link here.
Publication in Nature Catalysis
Together with our collaborators from Netherlands and Germany, we developed a catalyst from simple materials that generates ammonia from nitrogen and hydrogen at relatively low temperatures. Our group has contributed the publication though the use of predictive reaction simulations based on quantum chemical calculations. The work is published in Nature Catalysis and a news item is available on the DIFFER website.
Publication in Energy Storage Materials
The data-driven material design is a highly effective approach for the exploration of new compounds for electrochemical energy storage. In a recent study that is just published in Energy Storage Materials, together with our collaborators from GES, we first computationally predicted 100s of new compounds, next experimentally tested 10s of them, then identified the most promising candidates for energy storage in redox flow batteries. A public news item is available on the DIFFER website.
Keynote speech at ICAMIS 2022
On February 18th at 09:30 am (CET), Süleyman will deliver a keynote speech titled Automating the virtual exploration of electroactive compounds for efficient energy storage at the International Conference on Advanced Materials for Innovation and Sustainability (ICAMIS 2022). The conference is organized by the MLR Institute of Technology India. ICAMIS aims to provide a platform to discuss the role of advanced materials for the development of sustainable environment and to emphasize the impact of innovative technologies developed by the advanced materials on our society. The conference is open to all researchers across the world.
Presentation at CCER
Süleyman will give an invited presentation entitled Artificial Intelligence-enabled exploration of new materials for energy applications at the CCER symposium organized for the farewell of Prof. Vianney Koelman (TU/e) on March 25th at 14:35 (CET), in Zwarte Doos Restaurant on Eindhoven University of Technology campus.
AMD’s first PhD student has successfully graduated
Qi Zhang has been awarded the title of doctor from the Applied Physics Department of Eindhoven University of Technology in recognition of his advanced research and studies performed at the AMD group of DIFFER. The title of Qi’s thesis is A computational approach for high-throughput virtual screening of organic electroactive compounds for aqueous redox flow batteries. Congratulations to Qi, Congratulations to dr. Zhang!
Publication in Batteries
Our publication entitled Evaluation of Computational Chemistry Methods for Predicting Redox Potentials of Quinone-Based Cathodes for Li-Ion Batteries has been accepted in Batteries, which is openly accessible. Congratulations to Xuan and Abhishek!
Süleyman will give a lecture at ISSAME
The International Summer School on Advanced Materials for Energy (ISSAME) is intended for young scientists and PhD students interested in Materials Science for Energy. Süleyman will present a short course on Automating the virtual discovery of molecules for energy storage at ISSAME, which will take place in Saint-Omer, France, on December 13, 2021.
Süleyman is invited to present at CHAINS
Süleyman will present a talk titled Automating the screening of electroactive compounds for grid-scale energy storage on the Focus Session: Data-driven chemical design and discovery, which will be chaired by Prof. Evgeny Pidko. The focus session is part of the Fundamentals and Methods of Chemistry track of the CHAINS conference and will take place in Veldhoven, Netherlands, on December 8, 2021.
Publication in Nature Scientific Data
Material databases contain valuable information for energy researchers, but searching them can be time consuming. OPTIMADE consortium now developed a way to make multiple databases interoperable. The results are published in Nature Scientific Data and highlighted in Nature Reviews Materials. You can read more about it in DIFFER’s public news item.
Publication in The Journal of Physical Chemistry Letters
It is a present-day challenge to design and develop electrocatalytic materials for clean energy applications. By using robust high-throughput computational screening methods, we accelerate the virtual exploration of all-inorganic perovskite materials for electrochemical conversion reactions. To learn more, you can find the paper here.
Publication in Applied Surface Science
Hydrogen is a promising energy carrier, but new technological solutions are required for its efficient storage. In a collaborative project with researchers from China and Australia, we explored the use of metal-doped carbonous materials for high-density hydrogen storage. The full paper is openly accessible here.
Süleyman will give a talk at TechConnect EUROPE
TechConnect EUROPE addresses recent game-changing developments in materials science, combining advanced digital technologies to drive automated synthesis, processing and characterisation of advanced materials and devices. Süleyman is invited to give a talk on computational science for energy materials discovery at the Energy & Sustainability track of TechConnect EUROPE, which will take place on November 15-17, 2021 in Malmö, Sweden.
Süleyman will give a talk at EERA-JP-ES
Süleyman will give a talk at a webinar on Materials for Hybrid Energy Storage – Creating an Ecosystem for Innovation that’s organized by the European Energy Research Alliance (EERA) Joint Programme on Energy Storage. This special event will bring together research and industry communities involved in: Energy Storage, Materials Science (Artificial Intelligence, Materials Accelerator Platforms), and Particle Accelerators. For more info and registration click here.
Best poster prize at ICT.OPEN2021
We won the best poster audience prize at ICT.OPEN2021, which creates a platform that brings together fundamental ICT research as well as novel and innovative applications of ICT research in the Netherlands. More than 500 scientists from all ICT research disciplines and from ICT industry come together to learn from each other, to share ideas and to expand their network. Our group has won the best poster prize at this important event.