AI & ML interests
PI: Markus J. Buehler, MIT. Our research focus on developing a new paradigm that designs materials from the molecular scale, using MD, ML and other methods.
Recent Activity
Papers
Autonomous Agents Coordinating Distributed Discovery Through Emergent Artifact Exchange
BeamPERL: Parameter-Efficient RL with Verifiable Rewards Specializes Compact LLMs for Structured Beam Mechanics Reasoning
The Laboratory for Atomistic and Molecular Mechanics (LAMM) at MIT develops AI for science methods to model, reason about, and discover new materials and biological systems.
Our work combines machine learning, graph reasoning, generative models, autonomous agents, molecular simulation, and multiscale mechanics to accelerate scientific discovery across materials science, biology, and engineering.
We share models, datasets, and tools for AI-driven scientific reasoning, materials design, and molecular-scale discovery.
PI: Prof. Markus J. Buehler, MIT, mbuehler@MIT.EDU Lab: Laboratory for Atomistic and Molecular Mechanics