Thermodynamics From First Principles: Prediction Of Phase Diagrams And Materials Properties Using Density Functional Theory
First principles calculations have become one of the main computational methods in condensed matter physics and physical chemistry due to their high degree of accuracy without the usage of any fitting parameters. Interest has been growing in the engineering disciplines to exploit these properties to...
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| Format: | Others |
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Research Showcase @ CMU
2014
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| Online Access: | http://repository.cmu.edu/dissertations/369 http://repository.cmu.edu/cgi/viewcontent.cgi?article=1369&context=dissertations |