Guest Editorial
Résumé
The current special issue of Molecular Simulation presents many scientific papers related to the relevance of molecular modelling methods to industrial problems. Many modelling techniques are presented ranging from those based on quantum mechanics or so called ab initio methods to those using classical potentials and molecular dynamics. A wide range of materials are also studied in this issue from soft materials such as polymeric blends that are very widely employed in the chemical industry, to hard or inorganic materials such as glasses and alumina.
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