For much of the history of chemistry, the proof of any chemical reaction was in the doing. The bench top was the proving ground. The blackboard or the back of the envelope might serve as the site for working out a reaction but actually making the...

Molecular modelling is a collective term that refers to theoretical methods and computational techniques to model or mimic the behaviour of molecules. The techniques are used in the fields of computational chemistry, computational biology and materials...

In principle, all of the theoretical machinery for predicting the chemical, electrical or mechanical properties of materials is available by solving the quantum mechanical equations of motion, which describe how very small particles such as electrons and atoms move and interact. Unfortunately these equations...

The design and sourcing of potential agrochemicals is being helped by modelling technology more familiarly found in the search for new drugs The development of agrochemicals is little different than pharmaceuticals at its most basic level. Drugs and pesticides both ultimately need...