Jiggling molecules

2,160 views · Published 1 November 2013 · 1:01:24 · Indexed 4 November 2026

Channel: Imperial College London · 2013 · Science & Technology

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Modelling how molecules build structures is important to many industrial processes.

One of the greatest achievements of the 20th century was the foundation of atomic theory - the understanding that the macroscopic behaviour of matter is a direct consequence of the forces that act between atoms and molecules.

The advent of the computer age paved the way for in silico modelling of these interactions, and computer simulation emerged as a scientific tool of unprecedented potential.

In this lecture Professor Erich Muller will explore the origins of molecular dynamics simulations, from the first applications to solve Newton's equations of motion for simple model systems to current systems for studying the spontaneous self-assembly of complex fluids. From reducing paint drying times to desalinisation of seawater, molecular simulation provides invaluable insights to the behaviour of industrially and biologically important fluids such as liquid crystals, amphiphiles and macromolecules.

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