LAMM: MIT Laboratory for Atomistic and Molecular Mechanics

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

mjbuehler  authored a paper 21 minutes ago

Generative Pretrained Autoregressive Transformer Graph Neural Network applied to the Analysis and Discovery of Novel Proteins

mjbuehler  authored a paper 21 minutes ago

Generative Discovery of Novel Chemical Designs using Diffusion Modeling and Transformer Deep Neural Networks with Application to Deep Eutectic Solvents

mjbuehler  authored a paper 21 minutes ago

Modeling and design of heterogeneous hierarchical bioinspired spider web structures using generative deep learning and additive manufacturing

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Papers

GraphAgents: Knowledge Graph-Guided Agentic AI for Cross-Domain Materials Design

Selective Imperfection as a Generative Framework for Analysis, Creativity and Discovery

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Team members 2