Computer modelling for molecular science - with Sir Richard Catlow
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- čas přidán 7. 09. 2024
- 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: • Q&A: Computer modellin...
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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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Watch Richard's Q&A for this talk here: czcams.com/video/aRGH5lC0pLc/video.html
I enjoy how you Prof Catlow simplifies the applications of modelling. As usual, good and informative presentation indeed👏👏
While I always enjoy the well-rounded nature of these lectures, the myriad exposure of other fields using what you also use in completely different manners is worthy of great praise. Very much enjoyed this one.
It is important to have these lectures, to inspire the transfer of knowledge to future generations.
It may be that millenia past, we lost a huge amount of knowledge.
I fear that we are on the precipice of another huge loss for mankind.
Professor Carlow is an outstanding teacher and lecturer. I’ve learned so much. Thank you.
This is the future, Not repeats of repeats and reality TV on BBC and ITV.
My respects for Sir Richard Catlow.
It would be swell if you can add the Q&A part in the main videos. No reason to break them up.
Great communicator as always. Would have been interesting to hear his take on AlphaFold protein folding and other AI approaches to structure-property relationships.
This was so clear and so fascinating. What a great field of research!
What an awesome and mindblowing topic!
56:08 So the one that makes it to the end of the tunnel with the proton scores a goal?
I'd say if you can have your students focus on fluid dynamics have them look at the buffeting chuck Yeager broke through to break the sound barrier then go into the engine scoop on the p51 the the f18 look into wing gloves and a paper titled blade tip vortices interactions in and out of ground effect through translational flight then move onto hypersonic interactions during reentry then look into the material dynamics and then after idk I went to non purturubutive methods to the hexagonal geometry after I used helium to refresh orbital dynamics then after all that I related everything to microtubials and the rest is history
9:14 where is the expansion of the universe in this video? it looks too much like steady state.
In the meantime, could anyone try if LCD technology is better and cheaper by being better, for solar panels. Instead of transmitting light, reverse and receive light, , even UV rays should be able to be used.
Quantum Computing is the future.
Thanks!
This is how I understand quantum physics magic that you can prove with math😅
Gravity happens
ツ
Last time I watched the change of a crystalline structure was when a UFO suddenly changed from a cylindrical to a saucer-shaped appearance...Not joking!
I ❤️ "Flight of the Navigator"!