Rapid Determination of Absolute Entropy from Molecular Dynamic Simulations
碩士 === 國立臺灣大學 === 化學工程學研究所 === 105 === The two-phase thermodynamic (2PT) method is a method which extracts the atomic data (position and velocity) and systematic data (density and classical energy) from molecular dynamic (MD) simulation to determine thermodynamic properties rapidly and accurately, e...
| Main Authors: | , |
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| Format: | Others |
| Language: | en_US |
| Published: |
2017
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| Online Access: | http://ndltd.ncl.edu.tw/handle/jv5z8c |