AI and Machine Learning in the Natural Sciences

We're a tight-knit team of computer scientists, chemists, physicists, and mathematicians working collaboratively. Our focus is on developing practical methods that blend traditional disciplines with modern machine learning and AI technologies to effectively address large-scale problems.

Currently, our main research areas are:

• Accelerating numerical simulations: We are particularly interested in molecular simulations.
• Inverse molecular design: including design of small-molecule therapeutics, biologics, vaccines, and antibodies.

The group is led by Simon Olsson. More information about the research group can be found on the external research group page.

Members