About

ML-IP 2021 is a Psi-k tutorial workshop aimed at young and early-career researchers who are interested in using machine-learning interatomic potentials (ML-IP) in their work and would like to gain a solid theoretical and practical grounding in the field before embarking on a research project.

ML-IP 2021 has taken place fully online, on 15-19 November 2021.

Both the organizers and the invited speakers are also early-career researchers well equipped to share their working experience on ML-IP in practical atomistic simulations with those interested in getting started in the field. The workshop format will consist of short introductory lectures to the topics, but the main focus will be the hands-on tutorials guiding participants through the application of these concepts to relevant toy cases and their own research.

The two main scopes of this tutorial workshop are:

  • to give young and early-career researchers a solid introduction in the basic scientific techniques of designing, fitting, and validating an ML-IP for a new system

  • to provide a platform for those interested in using machine learning potentials in their work to connect to those involved in developing methods for ML-IP, in order to accelerate the adoption of ML techniques in the wider atomistic simulation community.

We hope this platform will also provide an opportunity to enter the field for those who might be interested in pursuing method development and addressing the remaining unsolved problems in machine-learning potential development.