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.
Our PRINCIPAL INVESTIGATORS
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Check out the TU/e Vacancies page for further opportunities within our group
Research Areas
News
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Meet some of our Researchers
Project Related Publications
Our most recent peer reviewed publications
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Discrete Elemental Distributions inside a Single Mixed-Halide Perovskite Nanocrystal for the Self-Assembly of Multiple Quantum-Light Sources
Nano Letters (2023) -
High-Mobility and Bias-Stable Field-Effect Transistors Based on Lead-Free Formamidinium Tin Iodide Perovskites
ACS Energy Letters (2023) -
Effect of the Precursor Chemistry on the Crystallization of Triple Cation Mixed Halide Perovskites
Chemistry of Materials (2023) -
Multifunctional Additive CdAc2 for Efficient Perovskite-Based Solar Cells
Advanced Materials (2023) -
On the Mechanism of Solvents Catalyzed Structural Transformation in Metal Halide Perovskites
Advanced Materials (2023)
Contact
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Visiting address
FluxGroene Loper 195612 AP EindhovenNetherlands -
Visiting address
FluxGroene Loper 195612 AP EindhovenNetherlands -
Postal address
FluxP.O. Box 5135600 MB EindhovenNetherlands -
Teamlead
Sofia Caleros.calero@ tue.nl -
Teamleads.calero@ tue.nl
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Secretarym.j.a.m.rodenburg@ tue.nl