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Join us for an intriguing evening as we delve into the fascinating world of chemical reactions that shape our daily lives. Discover how computer simulations play a pivotal role in unraveling these mysteries. We'll also explore the innovative use of surfaces and AI in advancing solar cell technology. Don't miss out on this showcase of the unique capabilities of computer simulations and how they are shaping the future!
Imperfections are key: How supercomputers and machine learning help us to understand material defects
Seán Kavanagh
(Environmental Fellow at Harvard University)
"Defects" are minor imperfections in the arrangement of atoms in materials, which majorly effect macroscopic device properties. They are the fundamental tenet underpinning the trillion-dollar transistor industry, governing solar panel efficiencies, battery performance, LED brightness and more. But, they're hard to study. I'll talk about why that is, and how supercomputers and machine learning are helping to achieve breakthroughs in this area.
'Superficial' understandings in depth: How computer simulation helps to study surfaces
Huanyu Zhou
(PhD student in Theoretical, Computational and Data-driven chemistry)
A broad range of phenomena in our daily life are dominated by reactions on surfaces, ranging from shape of snowflakes to rust on the railway track. Nowadays computer simulations are widely used to study these reactions, so people can understand and manipulate them to get desired outcomes. To showcase the unique strength of computer simulations, this talk will share some really fascinating and state-of-the-art findings that reveal the mechanisms of reactions behind the scene.
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