Presentation by S. Olsson, 20 October 2021

Machine Learning for Molecular dynamics — Why bother?
Simon Olsson
Chalmers University of Technology
20 October 2021
Online

With faster compute-infrastructures, molecular simulations play an increasingly important role in the basic sciences and application areas such as drug and materials design. Simultaneously, machine learning and artificial intelligence are receiving increased attention due to increasing volumes of data generated both inside and outside of science. In this talk, I will talk about a few applications of these technologies in molecular simulation, focusing on biomolecular simulations [1,2]

[1] Olsson & Noé ”Dynamic Graphical Models of Molecular Kinetics” Proc. Natl. Acad. Sci. U.S.A. (2019) doi: 10.1073/pnas.1901692116.
[2] Noe†, Olsson, Köhler, Wu ”Boltzmann Generators: Sampling Equilibrium States of Many-Body Systems with Deep Learning” Science (2019). 365, eaaw1147. doi:10.1126/science.aaw1147.

Link: http://www.cse.chalmers.se/~simonols/

Press release on Extracting quantitative biological information from bright-field cell images using deep learning

Virtually-stained generated image for lipid-droplet.

The article Extracting quantitative biological information from bright-field cell images using deep learning has been featured in a press release of the University of Gothenburg.

The study, recently published in Biophysics Reviews, shows how artificial intelligence can be used to develop faster, cheaper and more reliable information about cells, while also eliminating the disadvantages from using chemicals in the process.

Here the links to the press releases on Cision:
Swedish: Effektivare studier av celler med ny AI-metod
English: More effective cell studies using new AI method

Here the links to the press releases in the News of the University of Gothenburg:
Swedish: Effektivare studier av celler med ny AI-metod
English: More effective cell studies using new AI method