The CMSL comprises four theoretical research groups working on understanding materials through use of electronic and atomistic modelling methods. Our research interests range through heterogeneous catalysts and strongly correlated systems to nanomaterials and new materials discovery. We strongly promote synergystic interactions between CMSL members to take advantage of this wide spectrum of expertise. We also maintain many external collaborations with other theoretical and experimental groups, often to tackle problems of technological and/or environmental importance.


The CMSL is financially supported by the Catalan Government (2017SGR13) and is a part of the Institute of Computational and Theoretical Chemistry at the University of Barcelona (IQTCUB) and the Catalan Reference Network on Theoretical and Computational Chemistry (XRQTC).

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