Machine Learning in Chemical and Materials Sciences 2025 [MLCM-25]

Important Info

Dates May 19-22, 2025
Format In-Person only
Location Santa Fe, New Mexico, US
Venue Hotel Santa Fe
Fee Students/Postdocs/LANL - $200, General - $350


🧪 Registration is now open!

🌐 Last year we made an impact by running MLCM-24 in a virtual format to allow worldwide connections. In the exit survey, ~60% of participants preferred an in-person format, and we listened!
We are thrilled to announce that MLCM-25 conference will be held in-person in the historic downtown of Santa Fe, the oldest capital in the US.

➡️
No Parallel Sessions

All talks run sequentially for better immersion.

🔄
Dynamic Resource Hub

All relevant codes and references are posted in real-time.

💼
Unique Hiring Opportunities

We post and promote job openings from participants.

🌵
Santa Fe

A high-demand location with rich history, vibrant culture, and unique cuisine.

Technical program

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.

Topics

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

Registration

This is a 4-day in-person, non-profit event primarily sponsored by CNLS and LANL.
We collect a small registration fee to cover organizational expenses.
Registration fee for students/postdocs/LANL employees is $200.
For all other participants (academia, industry, government), the registration fee is $350.
Registration includes refreshments, lunches, evening networking reception and dinner. See PROGRAM for more details. Please, use the REGISTRATION LINK to register.

If you have any questions, please, reach out to us!

Organizers:

Nikita Fedik LANL T-1/CNLS nfedik@lanl.gov
Emily Shinkle LANL CCS-3 eshinkle@lanl.gov
Arnab Neogi LANL T-4 aneogi2@lanl.gov

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


Sponsor
Center for Non-Linear Studies (CNLS)