Research output per year
Research output per year
Groene Loper 19, Flux
5612 AP Eindhoven
Netherlands
P.O. Box 513, Flux
5600 MB Eindhoven
Netherlands
We use simulation to design multifunctional materials and optimize processes related to renewables and energy efficiency
INVENTING MATERIALS TO MEET TODAY'S ENERGY AND ENVIRONMENTAL CHALLENGES
The Materials Simulation & Modelling Group (MSM) in the Department of Applied Physics uses high-performance computers to simulate materials that potentially revolutionize renewable energy and green technology. We develop and apply both quantum and classical methods, together covering a comprehensive multiscale approach to studying materials and complex molecules from the atomistic scale to the nanoscale. Systems we currently focusing on include, but are not limited to, porous materials, novel semiconductors and hybrid nanomaterials. These are exciting materials that have a lot to offer. However, to establish unique relations between chemical composition, physical properties and their functionalities in the final application is still a chimera. Our motivation is to use theoretical analysis and computer modelling to “invent” materials that meet the current energy and environmental challenges of our society.
Person: Prom. : doctoral candidate (PhD)
Person: Prom. : doctoral candidate (PhD)
Person: HGL : Professor, HGL : Professor
Research output: Contribution to journal › Article › Academic › peer-review
Research output: Contribution to journal › Article › Academic › peer-review
Research output: Contribution to journal › Review article › Academic › peer-review
Perfecto-Irigaray, M. (Contributor), Beobide, G. (Contributor), Pérez-Yáñez, S. (Contributor), Luque, A. (Contributor), Calero, S. (Contributor), da Silva, I. (Contributor), Velasco, L. F. (Contributor), Gutiérrez-Sevillano, J. J. (Contributor) & Castillo, O. (Contributor), Cambridge Crystallographic Data Centre, 21 Jul 2021
DOI: 10.5517/ccdc.csd.cc28dvtc
Dataset
Calero, S. (Contributor), Luque, A. (Contributor), Pérez-Yáñez, S. (Contributor), Beobide, G. (Contributor), Gutiérrez-Sevillano, J. J. (Contributor), da Silva, I. (Contributor), Perfecto-Irigaray, M. (Contributor), Velasco, L. F. (Contributor) & Castillo, O. (Contributor), Cambridge Crystallographic Data Centre, 20 Jul 2021
DOI: 10.5517/ccdc.csd.cc28dvn6
Dataset
Polat, H. M. (Creator), Salehi, H. S. (Contributor), Hens, R. (Creator), Wasik, D. O. (Creator), Rahbari, A. (Creator), De Meyer, F. (Contributor), Houriez, C. (Creator), Coquelet, C. (Creator), Calero, S. (Creator), Dubbeldam, D. (Creator), Moultos, O. A. (Creator) & Vlugt, T. J. H. (Creator), 4TU.Centre for Research Data, 12 May 2022
DOI: 10.4121/19738834
Dataset
Zhakisheva, Botagoz (Recipient), 31 May 2018
Prize: Other › Scholarships › Scientific
Dominika O. Wasik (Participant)
Activity: Participating in or organising an event types › Conference › Scientific
Sofia Apergi (Speaker)
Activity: Talk or presentation types › Contributed talk › Scientific
Dominika O. Wasik (Chair)
Activity: Participating in or organising an event types › Conference › Scientific
14/10/21
1 item of Media coverage
Press/Media: Expert Comment
15/09/21
1 item of Media coverage
Press/Media: Expert Comment
Peter A. Bobbert, Geert H.L.A. Brocks, Zehua Chen & Shuxia Tao
11/05/21 → 12/05/21
2 items of Media coverage
Press/Media: Expert Comment
Supervisor: Tao, S. (Supervisor 1) & Filot, I. A. W. (Supervisor 2)
Student thesis: Master
Student thesis: Master
Supervisor: Bobbert, P. A. (Supervisor 1), Tao, S. (Supervisor 2), Baumeier, B. (Supervisor 2), Chen, Z. (Supervisor 2) & Gerritsen, R. H. J. (Supervisor 2)
Student thesis: Bachelor