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 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.
New Publication in npj Computational Materials
Our work entitled “An artificial intelligence-aided virtual screening recipe for two-dimensional materials discovery” has been published in npj Computational Materials. We introduced a recipe for a data-driven strategy to speed up the virtual screening of two-dimensional (2D) materials and to accelerate the discovery of new candidates with targeted physical and chemical properties. As a proof of concept, we generated new 316,505 likely stable 2D materials and predicted their key physical properties. Check out our Virtual 2D materials database (V2DB)!
![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 students](https://www.amdlab.nl/wp-content/uploads/2020/06/ChengXu_YatongWang-1.png)
[AMD] welcomes new PhD students
Cheng Xu and Yatong Wang join [AMD] as PhD students. Cheng received his Master degree from Shandong University on the development of cathode materials and electrolyte of Lithium and Aluminium ion batteries. Yatong received his Master degree from Taiyuan University of Technology on the design of new two-dimensional battery materials for energy applications. We welcome Cheng and Yatong to our group and wish them success in their studies on the computational modelling of energy materials.
![[AMD] head Süleyman Er is Mission Innovation Champion for the Netherlands](https://www.amdlab.nl/wp-content/uploads/2020/06/Suleyman_MIC.png)
[AMD] head Süleyman Er is Mission Innovation Champion for the Netherlands
Mission Innovation (MI) is a global initiative working to accelerate clean energy innovation. MI Champions program is a highly prestigious recognition that seeks to celebrate and support innovative individuals who are helping to accelerate the clean energy revolution. [AMD] Research Group Lead Süleyman Er has been awarded the 2020 MI Champion for the Netherlands. He expects that the award will increase the visibility and impact of the scientific studies performed at [AMD], DIFFER, and also more broadly at other Dutch and International research organizations.
Our project on lateral 2D heterostructures won the HPC-Europe3 grant
In this project, we will explore the electronic structures and computational scanning tunnelling microscopy images of various 2D-TMDs heterostructures using high throughput density functional theory calculations. Our goal is to accelerate the development of structurally tailored new 2D-TMD lateral HSs and to probe their interesting in-plane physical properties for different application purposes such as semiconductor lasers, solar cells and field-effect transistors.
New Publication in the Journal of Energy Chemistry
Our work entitled “Surface charging activated mechanism change: A computational study of O, CO, and CO2interactions on Ag electrodes” has been published in the Journal of Energy Chemistry. Electrocatalytic and plasma-activated processes receive increasing attention in catalysis. In this work, we used the neutral and progressively charged Ag(111) metal surfaces as a model electrode to study the interactions of O, CO, and CO2 under plasma-activated conditions.
Narasimhan presenting at ACOS Symposium 2019
Narasimhan presented his work entitled: “Automated screening of single atom catalysts for solar fuel conversion”, at the Applied Computational Sciences (ACOS) symposium 2019 at DIFFER.
Ilker presenting at ACOS Symposium 2019
Ilker presented his work entitled: ” Virtual materials library generation and high-throughput screening for CO2 reduction catalysts”, at the Applied Computational Sciences (ACOS) symposium 2019 at DIFFER.
Abhishek and Elif presenting at ACOS Symposium 2019
Abhishek and Elif presented their work entitled: “BAT-DB: Design of a combinatorial library of electroactive compounds for redox flow batteries”, at the Applied Computational Sciences (ACOS) symposium 2019 at DIFFER.
Xuan presenting at ACOS Symposium 2019
Xuan presented her work entitled: “Computational screening on virtual library of organic carbonyl materials”, at the Applied Computational Sciences (ACOS) symposium 2019 at DIFFER.
Qi presenting at ACOS Symposium 2019
Qi presented his work entitled: “A multi-scale computational framework for electroactive materials discovery for redox flow batteries”, at the Applied Computational Sciences (ACOS) symposium 2019 at DIFFER.
Murat presenting at ACOS Symposium 2019
Murat presented his work entitled: “Discovering two-dimensional materials via artificial intelligence”, at the Applied Computational Sciences (ACOS) symposium 2019 at DIFFER.
Murat presenting at AI@TUE Symposium
Murat presented his work entitled: “Discovering two-dimensional materials via artificial intelligence”, at the Artificial Intelligence in Engineering Symposium at Eindhoven University of Technology.