Education

Aug. 2009 - Present PhD in Mechanical Engineering, University of Illinois at Urbana-Champaign, Urbana, IL, USA
Minor: Computational Science and Engineering
Aug. 2009 Master of Science in Mechanical Engineering, Purdue University, West Lafayette, IN, USA
Aug. 2006 Bachelor of Engineering (Hons.) in Mechanical Engineering, Birla Institute of Technology and Science, Pilani, RJ, India

Work Experience

Aug. 2009 - Present Graduate Research Assistant, Computational Multiscale Nanosystems Group, Beckman Institute for Advanced Science and Technology, Urbana, IL, USA
May 2015 - Aug. 2015 Graduate Summer Intern, Computer, Computational, and Statistical Sciences (CCS) Division, Los Alamos National Laboratories, Los Alamos, NM, USA
June 2014 - Aug. 2014 Graduate Summer Intern, Computer Science Research Institute (CSRI), Sandia National Laboratories, Albuquerque, NM, USA
Aug. 2007 - Aug. 2009 Graduate Research Assistant, Computational Fluid Dynamics Lab, Purdue University, West Lafayette, IN, USA
May 2008 - Aug. 2008 Intern, Combustion Group, CFD Research Corporation, Huntsville, AL, USA
Oct. 2006 - June 2007 Software Engineer, Enterprise Process Management Team, Altair Engineering, Bengaluru, KA, India
Jan. 2006 - June 2006 Intern, Computational and Theoretical Fluid Dynamics, National Aerospace Laboratories, Bengaluru, KA, India
June 2003 - Aug. 2003 Intern, DivgiWarner Pvt. Ltd., Pune, MH, India

Teaching Experience

Aug. 2015 - Dec. 2015 Graduate Teaching Assistant, Computational Mechanics, Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, IL, USA
Aug. 2014 - May 2015 Graduate Teaching Assistant, Fundamentals of Fluid Dynamics, Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, IL, USA
Aug. 2005 - Dec. 2005 Teaching Assistant, Adv. Mechanics of Solids and Kinematics, Mechanical Engineering, Birla Institute of Technology and Science, Pilani, RJ, India

Computer Skills

Programming C++, KOKKOS, C, Python, MPI, OpenMP, FORTRAN
Tools LAMMPS, GROMACS, VOTCA, Fluent, Gambit, Hypermesh, Matlab
Scripting Shell, tcl
Markup Languages latex, txt2tags
General Linux, Mac OS, Windows

Open Source Projects

VOTCA Versatile object-oriented toolkit for coarse-graining applications Contributor
LAMMPS Large-scale Atomic/Molecular Massively Parallel Simulator, a classical molecular dynamics code Contributor

Publications

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].

Talks

Conference Talks

August 2015 "Coarse-grained potentials for confined water from relative entropy minimization in VOTCA", LAMMPS Users Workshop and Symposium, Albuquerque, NM, USA.
March 2014 "Continuum-based multiscale approach to predict the structure and theromdynamic properties of confined fluids", APS March Meeting 2014, Denver, CO, USA.
March 2014 "Coarse-graining using the relative entropy and simplex-based optimization methods in VOTCA", APS March Meeting 2014, Denver, CO, USA.
Nov. 2012 "Continuum-based coarse-grained water potentials for structural prediction in confined environments", The Sixty Fifth Annual Meeting of APS DFD, San Diego, CA, USA.

Invited Talks

Oct. 2014 "Recent developments in VOTCA", CECAM Workshop "School on Multiscale Modeling and Use of ESPResSo++ and VOTCA", Mainz, Germany.
Oct. 2013 "Coarse-graining using the relative entropy method in VOTCA", CECAM Workshop "Simulating Soft Matter with ESPResSo, ESPResSo++ and VOTCA", ICP Stuttgart, Germany.

Seminar Talks

Oct. 2013 "Multiscale coarse-grained potentials for confined water", Theory Group, MPI-P, Mainz, Germany.