Computational approaches to large molecular systems

Large molecular systems are expensive to simulate in full detail. A method that captures the important motions at lower cost can make a wider range of systems accessible, provided its approximations are understood.

The seminar examined approaches of this kind and discussed where they are reliable. The topic connects directly to the centre's computational laboratory, where molecular simulation is used to interpret experimental measurements.

The talk was part of the CO2 and sustainability series, which brings external methods into the centre's technical conversation.