Molecular Engineering & Modelling

Molecular engineering involves the creation of molecules & the development of new products from them. Molecular engineering is highly interdisciplinary by nature, encompassing aspects of chemical engineering, bioengineering, materials science, electrical engineering, mechanical engineering, physics and chemistry. The field is particularly important for scientific materials research & pharmaceuticals, as it is employed as a sophisticated form of chemical engineering. Molecular engineering is a dynamic & evolving field with complex target problems; breakthroughs require sophisticated and creative engineers who are conversant across disciplines.

            Molecular modelling includes all theoretical, methods and computational used to model or mimic the behaviour of molecules. The methods are used in the fields of drug design, computational biology, computational chemistry & materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies. Quick calculations can be achieved by hand, but inevitably supercomputers are required to perform molecular modelling of any reasonably sized system. The common feature of molecular modelling methods is the atomistic level description of the molecular systems. This may include treating atoms as the smallest individual unit or explicitly modelling electrons of each atom.

  • Biological engineering
  • Biomolecular engineering
  • Chemical engineering
  • Molecular mechanics
  • Cheminformatics
  • Molecular modeling on GPUs

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