All Stories

  1. Towards Agentic AI for Science Hypothesis Generation, Comprehension, Quantification, and Validation

    Article • May 2025, ACM (Association for Computing Machinery)

    Markus Buehler

  2. Automating alloy design and discovery with physics-aware multimodal multiagent AI

    Article • Proceedings of the National Academy of Sciences, January 2025, Proceedings of the National Academy of Sciences

    Markus Buehler

  3. Generative pretrained autoregressive transformer graph neural network applied to the analysis and discovery of novel proteins

    Article • Journal of Applied Physics, August 2023, American Institute of Physics

    Markus Buehler

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

    Article • Proceedings of the National Academy of Sciences, July 2023, Proceedings of the National Academy of Sciences

    Markus Buehler

  5. Generative discovery of de novo chemical designs using diffusion modeling and transformer deep neural networks with application to deep eutectic solvents

    Article • Applied Physics Letters, June 2023, American Institute of Physics

    Markus Buehler

  6. Molecular understanding of Ni 2+ -nitrogen family metal-coordinated hydrogel relaxation times using free energy landscapes

    Article • Proceedings of the National Academy of Sciences, January 2023, Proceedings of the National Academy of Sciences

    Markus Buehler

  7. Discovering design principles of collagen molecular stability using a genetic algorithm, deep learning, and experimental validation

    Article • Proceedings of the National Academy of Sciences, September 2022, Proceedings of the National Academy of Sciences

    Markus Buehler

  8. Rapid mechanical property prediction and de novo design of three-dimensional spider webs through graph and GraphPerceiver neural networks

    Article • Journal of Applied Physics, August 2022, American Institute of Physics

    Markus Buehler

  9. Generative design, manufacturing, and molecular modeling of 3D architected materials based on natural language input

    Article • APL Materials, April 2022, American Institute of Physics

    Markus Buehler

  10. In situ three-dimensional spider web construction and mechanics

    Article • Proceedings of the National Academy of Sciences, August 2021, Proceedings of the National Academy of Sciences

    Markus Buehler

  11. Artificial intelligence paves the way for protein design and analysis

    Article • APL Bioengineering, March 2020, American Institute of Physics

    Markus Buehler

  12. Crumpling deformation regimes of monolayer graphene on substrate: a molecular mechanics study

    Article • Journal of Physics Condensed Matter, August 2015, Institute of Physics Publishing

    Markus Buehler

  13. Directed self-assembly of end-functionalized nanofibers: from percolated networks to liquid crystal-like phases

    Article • Nanotechnology, April 2015, Institute of Physics Publishing

    Markus Buehler

  14. Tensile strength of carbyne chains in varied chemical environments and structural lengths

    Article • Nanotechnology, August 2014, Institute of Physics Publishing

    Markus Buehler

  15. Molecular mechanics and performance of crosslinked amorphous polymer adhesives

    Article • Journal of Materials Research, May 2014, Springer Science + Business Media

    Markus Buehler

  16. Tuning heterogeneous poly(dopamine) structures and mechanics: in silico covalent cross-linking and thin film nanoindentation

    Article • Soft Matter, January 2014, Royal Society of Chemistry

    Markus Buehler

  17. Modeling and additive manufacturing of bio-inspired composites with tunable fracture mechanical properties

    Article • Soft Matter, January 2014, Royal Society of Chemistry

    Markus Buehler

  18. Molecular mechanics of elastic and bendable caffeine co-crystals

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Chilla Malla Reddy, Markus Buehler

  19. Viscoelastic relaxation time and structural evolution during length contraction of spider silk protein nanostructures

    Article • MRS Communications, September 2013, Springer Science + Business Media

    Markus Buehler

  20. Tough and stiff composites with simple building blocks

    Article • Journal of Materials Research, May 2013, Springer Science + Business Media

    Markus Buehler

  21. Introduction

    Article • Journal of Materials Research, March 2013, Springer Science + Business Media

    Markus Buehler

  22. Mechanics and molecular filtration performance of graphyne nanoweb membranes for selective water purification

    Article • Nanoscale, January 2013, Royal Society of Chemistry

    Markus Buehler

  23. The role of capture spiral silk properties in the diversification of orb webs

    Article • Journal of The Royal Society Interface, August 2012, Royal Society Publishing

    Markus Buehler

  24. Bond energy effects on strength, cooperativity and robustness of molecular structures

    Article • Interface Focus, July 2011, Royal Society Publishing

    Markus Buehler

  25. Materiomics: biological protein materials, from nano to macro

    Article • Nanotechnology Science and Applications, November 2010, Taylor & Francis

    Markus Buehler

  26. Nanostructure and molecular mechanics of spider dragline silk protein assemblies

    Article • Journal of The Royal Society Interface, June 2010, Royal Society Publishing

    Markus Buehler