A machine learning inversion scheme for determining effective interaction of charged colloidal suspensions using scattering

ORAL

Abstract

We outline a machine learning strategy for determining the effective interaction of charged colloidal suspensions using scattering. We showed that the effective potential can be probabilistically inferred from the scattering spectra without any restriction imposed by model assumptions. Comparisons to existing parametric approaches demonstrate the superior performance of this method in accuracy, efficiency, and applicability. This method can effectively enable quantification of interaction in highly correlated systems using scattering and diffraction experiments.

*This research was performed at he Spallation Neutron Source and the Center for Nanophase Materials Sciences, which are DOE Office of Science User Facilities operated by ORNL. MD simulations used resources of the Oak Ridge Leadership Computing Facility, which is supported by DOE Office of Science under Contract DE-AC05-00OR22725.

Publication: M.-C. Chang, C.-H. Tung, S.-Y. Chang, J. M. Carrillo, Y. Wang, B. G. Sumpter, G.-R. Huang, C. Do, and W.-R. Chen, submitted. Manuscript is available at https://arxiv.org/abs/2103.14883

Presenters

  • Chi-Huan Tung

    • Natl Tsing Hua Univ

Authors

  • Chi-Huan Tung

    • Natl Tsing Hua Univ
  • Ming-Ching Chang

    • University at Albany, SUNY
  • Shou-Yi Chang

    • Natl Tsing Hua Univ
  • Jan-Michael Y Carrillo

    • Oak Ridge National Lab
    • Nanomaterials Theory Institute, Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee, United States
  • Yangyang Wang

    • Oak Ridge National Lab
    • Oak Ridge National Laboratory
  • Bobby G Sumpter

    • Oak Ridge National Lab
    • Oak Ridge National Laboratory
  • GUAN-RONG HUANG

    • Oak Ridge National Lab
  • Changwoo Dong

    • Oak Ridge National Lab
    • Oak Ridge National Laboratory
  • Wei-Ren Chen

    • Oak Ridge National Lab