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The proposed new formulation together with a logical bottom-up iterative calculation is able to predict the observed water level distributions.
Beam theory calculation is able to predict the static stresses induced by the ISO 7206/4 loading set-up with a difference always lower than 20% with respect to a prediction of a simplified FEA.
The FD calculation is able to transduce shape complexity in analytical quantitative data, harmonising the gap between structural features (typically qualitative) and functional quantitative measures.
A simple model calculation is able to reproduce the results obtained from atomistic calculations, and we use this to interpret these findings.
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Authors propose probabilistic models because likelihood based methods for missing data calculation are able to take into account different parameters and time aspect in a single model to convey more trustworthy estimates in performance measurement systems than traditional methods.
By means of a numerical test case, we show that the model, when coupled to CFD calculations, is able to simulate flame spread.
Very importantly, the calculations are able to reproduce and rationalise the enantioselectivity of the enzyme for both substrates.
The calculations are able to reproduce the observed U-shaped trend of binding free energy as a function of aliphatic chain length.
The mesoscale calculations were able to accurately reproduce the experimentally determined Hugoniot slope but under predicted the zero pressure shock speed by 12%.
Ab initio calculations are becoming increasingly useful to engineers interested in designing new alloys, because these calculations are able to accurately predict basic material properties only knowing the atomic composition of the material.
Moreover, our calculations are able to pinpoint the possible changes in the charged state of the protein binding site and of the inhibitor that underlie the observed effects of the pH on binding affinity.
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