Dates and Location
| Registration | Now Open 🧪 |
|---|---|
| Dates | May 18-21, 2026 |
| Format | In-Person only |
| Location | Santa Fe, New Mexico, US |
| Venue | Hotel Santa Fe — Special Rate $167/night |
| Fee | General - $350 | Students/Postdocs/LANL - $200 |
| Registration Deadline | April 15th 2026 |
Conference Info
We are excited to announce that MLCM-26 registration is open! 🌐
The conference will continue the immersive in-person format in the historic downtown of Santa Fe, the oldest capital in the US.
Check out our past events for program and speaker information from previous years.
No parallel sessions. Meals and receptions on-site for easy networking.
Codes, slides, and references posted in real-time during talks.
Speakers share openings. Job board for all. Top posters present as Rising Stars.
America's oldest capital: world-class art, Southwestern cuisine, and stunning landscapes.
Agenda
Machine Learning and AI are fundamentally changing how we explore chemistry and materials. Foundation models now enable simulations at unprecedented scale, generative approaches design molecules and materials on demand, and autonomous systems accelerate discovery through closed-loop experimentation.
Building on the success of previous MLCM events, we continue creating a space where senior experts and early-career researchers come together to share and learn, spark collaborations, and sketch brilliant ideas on the back of a napkin.
Topics
• Foundation Models for Chemistry and Materials.
• GenAI for Molecular and Materials Design.
• Multi-Modal Learning and AI-enhanced Differentiable Models.
• AI-driven Exploration of Atomistic Spaces and Reactivity.
• Uncertainty Quantification and Trustworthy ML for Chemistry and Materials.
• Agentic AI for Chemical R&D.
• Autonomous Labs and Simulations.
• GPU/TPU-accelerated Computational Chemistry.
• AI/ML-driven Inverse Chemical and Materials Design.
Registration
Registration for MLCM-26 is now open. This is an in-person, non-profit event primarily sponsored by CNLS and LANL.
We collect a small registration fee to cover organizational expenses.
Registration includes refreshments, lunches, evening networking reception and dinner.
If you have any questions, please, reach out to any of the organizers below.
Organizers
| Michael G Taylor | LANL T-1 | mgt16@lanl.gov |
| Ajay Khanna | LANL T-1 | akhanna2@lanl.gov |
| Emily Shinkle | LANL CAI-3 | eshinkle@lanl.gov |
| Nikita Fedik | NVIDIA | nfedik@nvidia.com |
Organizing Committee
| Ben Nebgen | LANL T-1 | |
| Kipton Barros | LANL T-1 | |
| Ying Wai Li | LANL CAI-1 | |
| Ping Yang | LANL T-1 | |
| Enrique Batista | LANL T-CNLS | |
| Nicholas Lubbers | LANL CAI-3 | |
| Danny Perez | LANL XCP-AI4ND | |
| Sergei Tretiak | LANL T-1/CINT/CNLS |
Check out our Sponsors page to see who makes MLCM-26 possible!