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PyLAMDO

Python-LAMMPS toolkit for Multiscale, Multiphysics, Materials Design & Optimization


The schematic for PyLAMMMDO

Copyright © 2022, Hanfeng Zhai, Cornell University

Reference

Computational Design of Antimicrobial Active Surfaces via Automated Bayesian Optimization

@article{Zhai2022,
  doi = {10.1021/acsbiomaterials.2c01079},
  url = {https://doi.org/10.1021/acsbiomaterials.2c01079},
  year = {2022},
  month = dec,
  publisher = {American Chemical Society ({ACS})},
  volume = {9},
  number = {1},
  pages = {269--279},
  author = {Hanfeng Zhai and Jingjie Yeo},
  title = {Computational Design of Antimicrobial Active Surfaces via Automated Bayesian Optimization},
  journal = {{ACS} Biomaterials Science {\&} Engineering}
}
@article{Zhai2023,
  doi = {10.1016/j.jmbbm.2023.106127},
  url = {https://doi.org/10.1016/j.jmbbm.2023.106127},
  year = {2023},
  month = sep,
  publisher = {Elsevier {BV}},
  pages = {106127},
  author = {Hanfeng Zhai and Jingjie Yeo},
  title = {Controlling biofilm transport with porous metamaterials designed with Bayesian learning},
  journal = {Journal of the Mechanical Behavior of Biomedical Materials}
}

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A Python-Lammps implementation for Materials Optimization and Design

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