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Principal Investigator

Markus J. Buehler

McAfee Professor of Engineering, MIT

Research interest: Materials science and mechanics of natural and biological protein materials (materiomics), how protein materials define our body and how they fail catastrophically (fracture, deformation, disease), large-scale atomistic modeling, protein based materials and biopolymers, interaction of chemistry and mechanics, bridging chemical scales to continuum theories of materials, modeling of bio-nano-materials phenomena, multiple-scale simulation, development and use of multi-scale simulation tools.

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Our research

Our research focus on developing a new paradigm that designs materials from the molecular scale. This requires the combinantion 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.

Our Lab

The Laboratory for Atomistic and Molecular Mechanics (LAMM) is in the School of Engineering at MIT. We are around 15 people, including undergraduate and graduate students, postdoctoral researchers, and research scientists, as well as visiting professors and scholars. We have our own supercomputing capabilities, 3D printers, and hydrothermal reactors, to perform multi-scale modeling, manufacturing and synthesis of different types of materials

Join us

We are always open to connect with highly motivated students and researchers that are interested in our research. We also have open oportunities within the Undergraduate Research Opportunity Program (UROP) at MIT. Contact us if you are interested in joining the Laboratory for Atomistic and Molecular Mechanics.

Contact us

Laboratory for Atomistic & Molecular Mechanics

Department of Civil and Environmental Engineering

Massachusetts Institute of Technology

Telephone: 617.452.2750

Fax: 617.324.4014



Assistant: Marygrace Aboudou