index.md

title
feature_image	/assets/mlcm-26-banner.jpg
feature_text	# Machine Learning in Chemical and Materials Sciences 2026 [MLCM-26]

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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 29th 2026 (extended)

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.

🎯

Full Immersion

No parallel sessions. Meals and receptions on-site for easy networking.

📚

Live Resource Hub

Codes, slides, and references posted in real-time during talks.

🚀

Career Launchpad

Speakers share openings. Job board for all. Top posters present as Rising Stars. Poster awards from NVIDIA and SCM.

🌵

Historic Santa Fe

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](/sponsors) page to see who makes MLCM-26 possible!