Markus J. Buehler
Co-founder & CTO @ Unreasonable Labs
About
Markus J. Buehler is the McAfee Professor of Engineering at MIT and a pioneer in AI for science and engineering. He is also co-founder and CTO of Unreasonable Labs, where he is building AI systems that move beyond retrieval to generate genuinely novel scientific knowledge. He created powerful graph‑aware, multi‑agent AI models that turn heterogeneous data into science-grounded actionable insight, powering breakthroughs in materials science, biology and healthcare. His work on AI-driven knowledge discovery and graph reasoning showed how machine intelligence can drive scientific breakthroughs in nanotechnology, advanced materials, and protein science. Buehler is among the world's most‑cited materials scientists and the recipient of numerous honors, including the Feynman Prize, ASME Drucker Medal, J. R. Rice Medal, and the Washington Award. He is a member of the U.S. National Academy of Engineering. For more than a decade he has also taught executive and technical professionals at MIT, shaping the next generation of leaders in engineering, knowledge discovery, and artificial intelligence.
United States
Cambridge
Research
Entrepreneurship, Startups, Executive Leadership, Technical Leadership, Artificial Intelligence (AI), Materials Science, Nanomaterials, Nanotechnology, Molecular Dynamics, Nanocomposites, Mathematical Modeling, Numerical Analysis, Science, Simulations, Computational Materials Science, Materials, Physics, Experimentation, Scientific Computing, Scientific Writing
Experience

Co-founder & CTO
Cambridge, Massachusetts, United States
Co-founder of Unreasonable Labs, where we are building AI systems for scientific discovery. Our technology integrates large language models, structured world models, and neurosymbolic reasoning to connect knowledge across disciplines, generate new hypotheses, and accelerate the discovery and design of materials, biological systems, and advanced technologies.

Director, MIT Laboratory for Atomistic and Molecular Mechanics (LAMM)
Cambridge, Massachusetts, United States
The MIT Laboratory for Atomistic and Molecular Mechanics (LAMM) focuses on developing a new paradigm that designs materials from the molecular scale. This requires the combination of multi-scale modeling, additive manufacturing, 3D printing, and experimental synthesis, which is applied to bio-inspired materials, biological materials, nanomaterials, and biomass materials, just to mention a few. By utilizing a computational materials science approach that includes Density Functional Theory (DFT) calculations, Molecular Dynamics (MD) simulations, coarse-grained and finite element modeling, as well as emerging methods based on Artificial Intelligence (AI) and Machine Learning (ML), we are able to understand and design materials along all different length scales, from a fundamental level. This is combined with additive manufacturing and synthesis techniques to provide a complete framework for materials design and production. By incorporating concepts from structural engineering, materials science and biology our lab's research has identified the core principles that link the fundamental atomistic-scale chemical structures to functional scales by understanding how biological materials achieve superior mechanical properties through the formation of hierarchical structures, via a merger of the concepts of structure and material.

Member of Board of Directors
Sweetwater Energy, Inc.
Rochester, New York Area

Member, Board of Directors and President
Society of Engineering Science
Served as elected member of the Board of Directors of the Society of Engineering Science (SES) (2016-2018) and between 2018 and 2020 served as President-elect, President and Past President of the SES.

President, Society of Engineering Science
Society of Engineering Science
Mission: The Society of Engineering Science (SES) promotes the development and strengthening of the interfaces between various disciplines in engineering, sciences, and mathematics. Vision -SES is an organization of leading engineers, scientists and mathematicians from around the world -SES focuses upon the interface between engineering, sciences and mathematics -SES maintains an appropriate balance between emerging and established fields -SES is an essential element of the larger engineering, applied science and applied mathematics communities -SES encourages the active participation of engineers, scientists, and mathematicians and students in all of its activities -SES Conferences aim to attract the leading researchers in all engineering and science disciplines, and mathematics -SES Conferences are recognized as the leading forums for bringing together diverse, interdisciplinary groups of researchers to discuss advances in highly focused symposia
Markus J. Buehler's Contact Information
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