High-performance, realistic computer simulations are crucially important for science and engineering, even allowing scientists to predict how individual molecules will behave.

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Scientists have always used models. Since the ancient Ptolemaic model of the universe through to renaissance astrolabes, models have mapped out the consequences of predictions. They allow scientists to explore indirectly worlds which they could never access.

Join Sir Richard Catlow as he explores how high-performance computer simulations have transformed the way scientists comprehend our world. From testing hypotheses at planetary scale to developing a personalised approach for the fight against Covid.

0.00 Intro and history of scientific modelling
7.34 Examples of computer models in science and engineering
16:10 Modelling molecules and materials
20:25 Using modelling for crystallography
28:14 Genetic algorithms for predicting crystal structures
32:32 Lawrence Bragg and the bubble raft
36:24 High performance computer modelling of materials
41:18 Modelling of nanostructures and nanoparticles
44:34 High energy density batteries
51:04 Three challenges for modelling

This Discourse was recorded at the Ri on 27 May 2022.

Discourses are one of the Ri’s oldest and most prestigious series of talks. Since 1825, audiences in the theatre have witnessed countless mind-expanding moments, including the first public liquefaction of air by James Dewar, the announcement of the electron by JJ Thomson and over 100 lectures by Michael Faraday. In more recent times, we have had Nobel laureates, Fields medal winners, scientists, authors and artists – all from the cutting-edge of their field. Discourses are an opportunity for the best and brightest to share their work with the world.

Sir Richard Catlow was educated at Clitheroe Grammar School and Oxford University and has spent his career as a scientist working in interdisciplinary fields relating to the development of functional materials for energy and catalytic technologies.

Richard was one of the pioneers in the development and application of computational tools in chemistry and materials science. He has published extensively, and his work has been recognised by election to the Fellowship of the Royal Society, the German National Science Academy and by several awards.

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