The Computational Materials Research group is a subunit of the Materials and Surface Theory division at the Department of Physics at Chalmers University of Technology in Gothenburg (Sweden). We study ma­ter­ials for energy conversion and storage using electronic and atomic scale modeling, with the goal of improving existing and finding new materials.

Over the course of the last years, we have worked on various classes of materials, including both inorganic (semi­con­duc­tors, in­su­la­tors, metals) and organic materials (surfactants, photoswitches). This multi­fa­ceted ex­per­ie­nce en­ables us to approach new challenges with a large toolbox and an open mind-set, which is key in view of the com­plex­ity and inter­disciplinary cha­rac­ter of the most exciting problems in modern ma­ter­ials science. To this end, we develop methods and software for electronic and atomic scale modeling. For an overview of our work, please take a look at our publications and software page.

Nanoparticles

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Transport

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Defects

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Oxides

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Metals

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Organics

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