Molecular dynamics simulations are used to investigate the interfacial properties of molecules related flavours Scotch whisky, in ethanol/water solutions with different values alcohol-by-volume (ABV). The propensity flavour accumulate at liquid-vapour interface is linked evaporation those into head space, and consequently their perception when nosing or tasting. simulation approach first valida...

The parallel ordering of large graphs is a difficult problem, because neither minimumdegree algorithms, nor the best graph partitioning methods that are necessary to nested dissection, parallelize or scale well. This paper presents a set of algorithms, implemented in the PT-Scotch software package, which allows one to order large graphs in parallel, yielding orderings the quality of which is eq...