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Research Center for Materials Genome
Released at 22:06, 06-Dec-2015         Viewed 761 times
     Computational materials science has emerged as an important field in materials research. Theoretical modeling, efficient numerical algorithm development and large scale simulation have been deployed to characterize material properties, to predict and interpret experimental findings, and to design new materials. In our school, researchers have used  theoretical modeling and simulations to study solid state materials, hybrid materials, polymeric materials,electrolyte systems, complex biological systems, active matter, and bio-materials. The focused research at MSE includes: (1) 2D graphene and graphene-analogous 2D materials; (2) applications of functional ionic liquids in rechargable battery and supercapacitors; (3) polymer organic photovoltaics; (4) properties of catalytic activity and gas absorption inhybrid materials and zeolites; (5) active matter systems, cell motility, nanocomposite materials, and biomaterials etc . Researchers work closely with experimental groups at MSE to engage in the state-of-the-art projects.   The faculty in computational materials science includes 4 professors and several lecturers. One Changjiang Chair Professor and thousand talent awardee  two are supported by the new century excellent talent support program. The representive achievements include designing a series of graphene- analogous 2D materials with predictive novel properties, ; proposing a new Li storage mechanism of electrocatalytic conversion , and designing new Li storage materials, fabricating a new energy storage device of rechargeable Li-CO2 batteries with graphene as the air cathode, and simulating cell movement on substrate materials. The  studies were published on J. Am. Chem. Soc., Angew. Chem. Int. Ed., Chem. Sci., Plos Comp. Biol. etc., and also contributed review articles in the field of graphene-analogous 2D materials on Prof. Mater. Sci. and WIREs Comput. Mol.Sci.. The  studies are supported by the foundation for innovative research groups of the national natural science foundation of China, the national natural science foundation of China, etc.., and were awarded the Second-Grade Natural Science Prize of Tianjin (2014).