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.
Presentation at Physics@Veldhoven
Murat presented our latest results on Artificial intelligence-aided discovery of 2D materials at Physics@Veldhoven, which is a large congress that provides a topical overview of physics in the Netherlands. The associated paper can freely be downloaded from here.
Best poster award at ACOS
Our poster titled “ChemPlot: A python library for chemical space visualization” is awarded as the best poster at the Applied Computational Science (ACOS) Symposium. The poster is prepared and presented by Dajt Mullaj, Murat Cihan Sorkun, and Süleyman Er.
Süleyman will chair two Discussion Tables on ML assisted material design and discovery for energy applications at ACOS 2020
ACOS 2020 symposium takes place on 28 October 2020 as an ONLINE and free event. The goal of ACOS annual symposiums is to bring together the Dutch research community, both academic and industrial researchers, in applied computational science. In addition to invited presentations and posters, [AMD] research group leader Süleyman Er will chair two Discussion Tables on Machine learning assisted materials design and discovery for energy applications. To register and join this interactive event please click here.
![[AMD] group leader Süleyman Er will give a talk at Schrödinger’s Virtual UGM 2020](https://www.amdlab.nl/wp-content/uploads/2020/10/Schrodinger_VUGM2020-768x325.png)
[AMD] group leader Süleyman Er will give a talk at Schrödinger’s Virtual UGM 2020
Schrödinger’s Virtual UGM 2020 features live presentations on a wide range of computational chemistry topics including materials discovery, drug discovery, and medicinal chemistry. On 27 October 2020 Materials Science Stream will feature, in addition to other interesting presentations, Süleyman’s presentation entitled “Computational explorations on a vast chemical space of electroactive compounds for energy storage“. To register for this free event please click here. Note the time zone is Eastern Time (USA – Boston).
Graduation Narasimhan Viswanathan
Narasimhan Viswanathan has successfully defended his Master Thesis entitled High-throughput DFT calculations on single atom catalysts for solar fuel generation at Delft University of Technology and DIFFER. We wish Narasimhan success in his next career step as a PhD student at RWTH Aachen and beyond.
Publication in npj Computational Materials
Our paper titled An artificial intelligence-aided virtual screening recipe for two-dimensional materials discovery is published in npj Computational Materials.
![NWO grants [AMD] for computing time on the national supercomputer](https://www.amdlab.nl/wp-content/uploads/2020/07/NWO-SURFSARA-1-768x328.png)
NWO grants [AMD] for computing time on the national supercomputer
The advanced Dutch computer facilities are used for technical-scientific research in which major computational problems need to be solved. Our [AMD] group of DIFFER has been awarded 21,000,000 hours (in other words 2,400 years) of computing time on the Cartesius national supercomputer of the Netherlands for the project entitled: “Multi-scale Energy Materials Modelling”. The complete list of awarded projects can be found on NWO’s website.
![[AMD] welcomes new PhD researcher](https://www.amdlab.nl/wp-content/uploads/2020/09/YatongWang.jpg)
[AMD] welcomes new PhD researcher
Yatong Wang joins [AMD] as a PhD researcher. Yatong received his Master degree from Taiyuan University of Technology on the design of new two-dimensional battery materials for energy applications. We welcome Yatong to our group and wish him success in his studies on the computational modelling of energy materials.