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Catalysis Modelling Group

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Catalysis Modelling Group (CMG) is a part of the Institute of High Performance Computing at A*STAR. Our research involves computer modeling of homogeneous as well as heterogeneous catalytic reactions at the atomistic level, exploring pathways in step-wise fashion. We use mostly first-principles electronic structure calculations in conjunction with high performance computing facilities to model reactions. We are a highly interdisciplinary group which combines extensive co-operation and collaboration between different research institutes and industry partners all over the world. Our aim is to provide research on the forefront of the field with most elaborate data manageable with modern high performance computing equipment.