Articles

  1. S. Y. Mashayak, and N. R. Aluru,
    Langevin-Poisson-EQT: A dipolar solvent based quasi-continuum approach for electric double layers,
    J. Chem. Phys., 146, 044108, 2017 [pdf].

  2. Motevaselian M. H., S. Y. Mashayak, and N. R. Aluru,
    An EQT-based cDFT approach for a confined Lennard-Jones fluid mixture,
    J. Chem. Phys., 143, 124106, 2015 [pdf].

  3. S. Y. Mashayak, Motevaselian M. H., and N. R. Aluru,
    An EQT-cDFT approach to determine thermodynamic properties of confined fluids,
    J. Chem. Phys., 142, 244116, 2015 [pdf].

  4. S. Y. Mashayak, Mara N. Jochum, Konstantin Koschke, N. R. Aluru, Victor Ruhle, and Christoph Junghans,
    Relative entropy and optimization-driven coarse-Graining methods in VOTCA,
    PLoS one 10, e131754, 2015 [pdf].

  5. S. Y. Mashayak and N. R. Aluru,
    Thermodynamic state-dependent structure-based coarse-graining of confined water,
    J. Chem. Phys., 137, 214707, 2012 [pdf].

  6. S. Y. Mashayak and N. R. Aluru,
    Coarse-grained potential model for structural prediction of confined water,
    J. Chem. Theory Comput., 8, 1828, 2012 [pdf].

Theses

  1. Sikandar Y. Mashayak,
    CFD modeling of plasma thermal reactor for waste treatment,
    M. S. Thesis, Purdue University, 2009 [pdf].