Validation of molecular simulation: an overview of issues
Computer simulation of molecular systems enables structure―energy―function relationships of molecular processes to be described at the sub-atomic, atomic, supraatomic or supra-molecular level and plays an increasingly important role in chemistry, biology and physics. To interpret results of such sim...
| Main Authors: | , , , , , , |
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| Format: | Journal article |
| Published: |
Wiley
2017
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