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  updated a dataset 4 days ago
lamm-mit/tersoff-3atom-toy
mjbuehler  published a dataset about 2 months ago
lamm-mit/tersoff-3atom-toy
mjbuehler  published a dataset about 2 months ago
lamm-mit/tersoff-3atom
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lamm-mit 's collections 8

PRefLexOR
PRefLexOR: Preference-based Recursive Language Modeling for Exploratory Optimization of Reasoning and Agentic Thinking
Leaf-inspired Image Generation
Collection of fine-tuned Stable Diffusion models (SD2.x, SD-XL, SD3) to incorporate biological design cues, here exemplified for leaf microstructures.
Graph-Aware Isomorphic Attention in Transformers
We present an approach to modifying Transformer architectures by integrating graph-aware relational reasoning into the attention mechanism.
LAMM MIT papers
Graph-Aware Isomorphic Attention in Transformers
We present an approach to modifying Transformer architectures by integrating graph-aware relational reasoning into the attention mechanism.
PRefLexOR
PRefLexOR: Preference-based Recursive Language Modeling for Exploratory Optimization of Reasoning and Agentic Thinking
LAMM MIT papers
Leaf-inspired Image Generation
Collection of fine-tuned Stable Diffusion models (SD2.x, SD-XL, SD3) to incorporate biological design cues, here exemplified for leaf microstructures.