Computer modelling for molecular science – with Sir Richard Catlow

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High-performance, realistic computer simulations are crucially important for science and engineering, even allowing scientists to predict how individual molecules will behave. Watch the Q&A here: https://youtu.be/aRGH5lC0pLc Subscribe for regular science videos: http://bit.ly/RiSubscRibe 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 th

Published 2023-03-09 · Watch on YouTube ↗
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