Materials Simulation & Modelling

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 鈥渋nvent鈥� materials that meet the current energy and environmental challenges of our society.

Meet some of our Researchers

Assistant Professor

Jose Manuel Vicent Luna

Full Professor

Sofia Calero

Full Professor
(Part-time)

Geert Brocks

Doctoral Candidate

Konrad Wilke

Doctoral Candidate

Tijin Saji

Assistant Professor

Behnaz Bagheri

Associate Professor

Shuxia Tao

Sofia Apergi

Recent Publications

Our most recent peer reviewed publications

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