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Our MMFF implementation was validated against the MMFF94 and MMFF94s official validation suites deposited by Halgren and Kearsley in the CCL data archive [20],[21], which contain the kekulized 3D structures of 761 and 235 molecules, respectively.
The mathematical model generated during CCD implementation was validated by conducting experiment on given optimal medium setting.
The FEA implementation was validated by simulating biaxial tests and by comparing the results with experimental data.
The implementation was validated in several ways.
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The implementation is validated in the frame of mould filling.
The local reconstruction implementation is validated on simulated data for which the cupping effect is prominent.
The implementation is validated using a complete contact problem and experimental data from literature.
The basic SWE-LB implementation is validated in different breaking dam scenarios.
Finally, the parallel implementation is validated by a micro-cantilever damping case.
The full three-dimensional implementation is validated, and the model is shown to be accurate and consistent.
This implementation is validated against a previous TIGER2 implementation, as well as data reported for the original TIGER2 simulations.
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