Generative models as efficient surrogates for molecular dynamics simulations

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• Simon Olsson - Chalmers University of Technology
• Friday 15 November 2024, 14:00-15:00
• ​ https://cam-ac-uk.zoom.us/j/82615098116?pwd=cBUqlkyJqfNWqbn5DkBlVmDpmcjV0d.1.

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The Cambridge ELLIS Unit Seminar Series holds talks by leading researchers in the area of machine learning and AI. Our next speaker for November 2024 will be Simon Olsson. Details of his talk can be found below. ​

​Title: “Generative models as efficient surrogates for molecular dynamics simulations”​ ​ Abstract: ​

Molecular dynamics (MD) is an important simulation technique in the natural sciences and engineering. In principle, it allows for establishing detailed, mechanistic models of molecular systems to explain and design experiments, or engineer molecules towards desirable properties. Unfortunately, these simulations are prohibitively expensive to use on a large scale. In this talk, I will present our work on using Generative AI methods to accelerate these simulations by orders of magnitude.​

​https://cam-ac-uk.zoom.us/j/82615098116?pwd=cBUqlkyJqfNWqbn5DkBlVmDpmcjV0d.1

This talk is part of the Cambridge Ellis Unit series.

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• Cambridge Centre for Data-Driven Discovery (C2D3)
• Cambridge Ellis Unit
• Cambridge talks
• Chris Davis' list
• Hanchen DaDaDash
• Interested Talks
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• bld31
• ndk22's list
• ob366-ai4er
• rp587
• ​ https://cam-ac-uk.zoom.us/j/82615098116?pwd=cBUqlkyJqfNWqbn5DkBlVmDpmcjV0d.1

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