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Research interests in the Yingling Research Group are focused on the development and application of advanced multiscale molecular modeling methods and data-science approaches for investigating the properties and processes in soft, colloidal, biomimetic, and biological materials. We use in silico characterization techniques for materials, encompassing structure prediction, mechanical and optical properties, chemical stability, morphological diagrams, and the impact of various environmental factors, stimuli, additives, plasticizers, and impurities.

 Biomimetic materials: 

  • Self-assembly of DNA and RNA-based nanomaterials with responsive properties;
  • Design of organized nanochannel materials from biomolecular magnetic organic frameworks;
  • In silico design of reflectin-inspired mechanimorphic materials;
  • Biomimetic materials design for phosphorous sustainability;
  • Enzyme engineering and biocatalyst interactions with gases ;
  • Controlled properties of cellulose nanocrystals-based materials

Nanomaterials and nanoparticles: 

  • Development of new molecular modeling approaches for studies of magnetic and metal nanoparticles;
  • Magnetic alignment of multi-functional nanoparticles as a function of environment;
  • Properties of polymer nanocomposites;
  • Design of nanoparticle-based materials for environmental clean-up

Machine Learning and Data Science: 

  • Leveraging data-science techniques to analyze and extract valuable insights from heterogeneous and multi-technique characterization data;
  • Development of approaches for materials data integration;
  • Convergence Informatics for phosphorous sustainability;
  • Approaches for handling small data: data imputation and augmentation

Affiliations and Funding

  • DOE EFRC Center for Lignocellulose Structure and Formation (CLSF)
  • NCSU Center for High Performance Simulations
  • Nano@NCSU
  • National Science Foundation, Directorate of Engineering
  • National Science Foundation, Division of Materials Research
  • US Department of Energy, Office of Basic Energy Sciences
  • US Department of Defense, Army Research Office