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Middle Scales of Complex Materials

ORAL · Invited

Abstract

We know the governing equations for atoms, though we can't necessarily keep track of every atoms or describe how they assemble into molecules, aggregates, and even larger structures of a cell. While Feynman recognized that there was a lot of room—that is combinatoric complexity—at the atomic scale, we see that the combinatorics increase quickly at the middle scales where a myriad of heterostructures (of sub micron size) have been assembled and aggregated. We report on our work to characterize and predict properties of sustainable nanoparticles that have emergent function at the middle scales, and characterizable function leading to non-toxic exposure in the environment. We will also report our findings in designing polymer-networked nanoparticle arrays which exhibit computing functions at the middle scales.

Publication: X. Wei, Y. Zhao, Y. Zhuang and R. Hernandez, "Building Blocks for Autonomous Computing Materials: Dimers, Trimers and Tetramers," J. Chem. Phys., 155, 154704 (2021). (10.1063/5.0064988)<br>A. E. Clark, H. Adams, R. Hernandez, A. I. Krylov, A. M. N. Niklasson, S. Sarupria, Y. Wang, S. M. Wild and Q. Y. Yang, "The Middle Science: Traversing Scale In Complex Many-body Systems," ACS Central Science 7, 1271 (2021). (10.1021/acscentsci.1c00685)<br>M. Bathe, R. Hernandez, T. Komiyama, R. Machiraju and S. Neogi, "Autonomous Computing Materials," ACS Nano 15, 3586 (2021). (10.1021/acsnano.0c09556)<br> Q. Cui, R. Hernandez, S. E. Mason, T. Frauenheim, J. A. Pedersen, and F. Geiger, "Mini-review. Sustainable Nanotechnology: Opportunities and Challenges for Theoretical/Computational Studies," J. Phys. Chem. B 120, 7297 (2016). (Featured on the cover) (doi:10.1021/acs.jpcb.6b03976)

Presenters

  • Rigoberto Hernandez

    Johns Hopkins University

Authors

  • Rigoberto Hernandez

    Johns Hopkins University