Improving the accuracy of lattice energy calculations in crystal structure prediction using experimental data
Crystal structure prediction (CSP) has been a problem of great industrial interest but also a fundamental challenge in condensed matter science. The problem involves the identification of the stable and metastable crystals of a given compound at certain temperature and pressure conditions. Computati...
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Imperial College London
2016
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.689137 |