Can we use computers to help accelerate the search for new materials? What if we could benefit from the enormous speed and efficiency of machine learning models to make this process faster?

atomistic simulation

quantum/classical

machine learning

neural networks/uncertainty

automation

algorithmic design/optimization

python

for business

R/ggplot

for pleasure

linux

for always

Workshop

Machine learning in chemistry

Together with Aditya Nandy and Nick Yang, I have put together a workshop covering the basic ideas of machine learning, intended for graduate students in chemical sciences. To date, I have presented this workshop at MIT, Ben Gurion University and the Hebrew University of Jerusalem.
You can find a version the slides here. Check out the full GitHub repo, which includes some neat interactive jupyter notebooks!

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