Machine Learning in Chemical and Materials Sciences 2024

May 20-23, 2024 | Virtual Conference [Zoom]
March 31, 2024   | Registration Deadline

Our event has almost reached capacity. Registration is now by invitation only. If you received an invitation, please, check email for password or contact organizers.
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Zoom link is emalied to all registered participants. Please, check messages from mailing list or contact organizers [ and] if you did not receive the link.


We are thrilled to announce Machine Learning in Chemical and Materials Sciences 2024 conference, a platform to showcase your ML research and connect with the renowned experts of the field.

The integration of Machine Learning (ML) techniques into chemistry and materials science has brought about transformative advancements, boosting the pace and precision of predictions. Notable breakthroughs encompass property predictions for materials, the reverse and forward engineering of tailor-made molecules, the creation of transferable interatomic potentials, the formulation of differentiable physics models, intelligent exploration of chemical space, and the rationalization of experimental observations, to name just a few success stories.


• ML Methods for Exploring Non-Equilibrium Processes
• Best Practices in Data Collection
• Meta-Learning Models and Heterogeneous Data Sources
• Development of Differentiable Physics Models
• ML-Assisted Material Design and Search


This is a virtual only event with free ($0) registration. Please, use the link to register. If you have any questions, please contact:

Nikita Fedik
Vidushi Sharma


Nikita Fedik LANL T-1/CNLS
Vidushi Sharma LANL T-1/CNLS

Organizing Committee:

Ben Nebgen LANL T-1
Kipton Barros LANL T-1
Ying Wai Li LANL CCS-7
Ping Yang LANL T-1
Enrique Batista LANL CNLS
Nicholas Lubbers LANL CCS-3
Danny Perez LANL T-1
Sergei Tretiak LANL T-1/CINT

Center for Non-Linear Studies (CNLS)