Ab initio simulation methods for the electronic and structural properties of materials applied to molecules, clusters, nanocrystals, and liquids
Computational approaches play an important role in today's materials science owing to the remarkable advances in modern supercomputing architecture and algorithms. Ab initio simulations solely based on a quantum description of matter are now very able to tackle materials problems in which the s...
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| Format: | Others |
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2014
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| Online Access: | http://hdl.handle.net/2152/25099 |