Sasan Nouranian

Contact Information

Sasan Nouranian, Ph.D.
Assistant Professor

Department of Chemical Engineering
University of Mississippi

18 Anderson Hall
University, MS 38677-1848

(662) 915-5382



  • Postdoctoral Associate, Center for Advanced Vehicular Systems (CAVS)
    Mississippi State University, February 2014
  • Doctor of Philosophy in Chemical Engineering with a Minor in Statistics and a Certificate in Materials Science and Engineering
    Mississippi State University, April 2011
  • Master of Science in Polymer Engineering (Polymer Industries Branch)
    Amirkabir University of Technology (Tehran Polytechnic), July 2003
  • Bachelor of Science in Polymer Engineering (Polymer Industries Branch)
    Amirkabir University of Technology (Tehran Polytechnic), May 2000


  • Lacy, T.E., Gwaltney, S.R., Pittman, C.U., Toghiani, H., Jang, C., Nouranian, S., and Yu, J. "Some Key Issues in Multi-Scale Modeling of Thermoset Nanocomposites/Composites," In: Arnold, S.M., Wong, T. (editors). "Tools, Models, Databases, and Simulation Tools Developed and Needed to Realize the Vision of Integrated Computational Materials Engineering," Materials Park, OH: ASM International, ISBN-10: 1615038310 (2011).

Peer Reviewed Journal Publications

  • Tschopp, M.A.,* Rinderspacher, C., Nouranian, S., Baskes, M.I., Gwaltney, S.R., and Horstemeyer, M.F. "Quantifying Parameter Sensitivity and Uncertainty for Interatomic Potential Design: Application to Saturated Hydrocarbons," ASCE-ASME Journal of Risk and Uncertainty in Engineering Systems, Part B: Mechanical Engineering (Special Issue on Uncertainty Quantification in Multiscale System Design and Simulation) 4(1) (2018): 011004 (17 pages). DOI: 10.1115/1.4037455
  • Shin, J., Nouranian, S.,* Ureña-Benavides, E.E.,* and Smith, A.E. "Dynamic Mechanical and Thermal Properties of Cellulose Nanocrystal/Epoxy Nanocomposites," Green Materials 5(3) (2017): 123-134. DOI: 10.1680/jgrma.17.00005
  • Khakpay, A., Rahmani, F., Nouranian, S.,* and Scovazzo, P. "Molecular Insights on the CH 4 /CO 2 Separation in Nanoporous Graphene and Graphene Oxide Separation Platforms: Adsorbents Versus Membranes," The Journal of Physical Chemistry C 121(22) (2017): 12308-12320. DOI: 10.1021/acs.jpcc.7b03728
  • Li, X., * Al-Ostaz, A., Jaradat, M., Rahmani, F., Nouranian, S., Rushing, G., Manasrah, A., Alkhateb, H., Finckenor, M, and Lichtenhan, J. "Substantially Enhanced Durability of Polyhedral Oligomeric Silsequioxane-Polyimide Nanocomposites Against Atomic Oxygen Erosion," European Polymer Journal 92 (2017): 233-249. DOI: 10.1016/j.eurpolymj.2017.05.004
  • Rahmani, F., Mahdavi, M., Nouranian, S., * and Al-Ostaz, A. "Confinement Effects on the Thermal Stability of Poly(ethylene oxide)/Graphene Nanocomposites: A Reactive Molecular Dynamics Simulation Study," Journal of Polymer Science, Part B: Polymer Physics 55(13) (2017): 1026-1035. DOI: 10.1002/polb.24355
  • Rahmani, F., Nouranian, S., * Li, X., and Al-Ostaz, A. "Reactive Molecular Simulation of the Damage Mitigation Efficacy of POSS-, Graphene-, and Carbon Nanotube-Loaded Polyimide Coatings Exposed to Atomic Oxygen Bombardment," ACS Applied Materials & Interfaces 9(14) (2017): 12802-12811. DOI: 10.1021/acsami.7b02032
  • Mun, S., Bowman, A.L., Nouranian, S., Gwaltney, S.R., Baskes, M.I., * and Horstemeyer, M.F. "Interatomic Potential for Hydrocarbons on the Basis of the Modified Embedded-Atom Method with Bond Order (MEAM-BO)," The Journal of Physical Chemistry A 121(7) (2017): 1502-1524. DOI: 10.1021/acs.jpca.6b11343
  • Rahmani, F., Nouranian, S., * Mahdavi, M., and O’Haver, J.H. "A Fundamental Investigation of the Surfactant-Stabilized Single-Walled Carbon Nanotube/Epoxy Resin Suspensions by Molecular Dynamics Simulation," Materials Research Express 4(1) (2017): 015016 (10 Pages). DOI: 10.1088/2053-1591/aa5465
  • Rahmani, F., Nouranian, S., * Mahdavi, M., and Al-Ostaz, A. "Molecular Simulation Insights on the In Vacuo Adsorption of Amino Acids on Graphene Oxide Surfaces with Varying Surface Oxygen Densities," Journal of Nanoparticle Research 18(11) (2016): 320 (17 Pages). DOI: 10.1007/s11051-016- 3631-7
  • Mahdavi, M., Rahmani, F., and Nouranian, S. * "Molecular Simulation of pH-dependent Diffusion, Loading, and Release of Doxorubicin in Graphene and Graphene Oxide Drug Delivery Systems," Journal of Materials Chemistry B 4 (2016): 7441-7451. DOI: 10.1039/C6TB00746E
  • Nouranian, S., * Gwaltney, S.R., Baskes, M.I., Tschopp, M.A., and Horstemeyer, M.F. "Simulations of Tensile Bond Rupture in Single Alkane Molecules Using Reactive Interatomic Potentials," Chemical Physics Letters 635 (2015): 278-284. DOI: 10.1016/j.cplett.2015.06.071
  • Drake, D.A., Sullivan, R.W., * Lacy, T.E., Pittman, Jr., C.U., Toghiani, H., DuBien, J.L., Nouranian, S., and Simsiriwong, J. "Creep Characterization of Vapor-Grown Carbon Nanofiber/Vinyl Ester Nanocomposites Using a Response Surface Methodology," Journal of Applied Polymer Science 132(26) (2015): 42162 (12 Pages). DOI: 10.1002/app.42162
  • AbuOmar, O., * Nouranian, S., King, R., Ricks, T.M., and Lacy, T.E. "Comprehensive Mechanical Property Classification of Vapor-Grown Carbon Nanofiber/Vinyl Ester Nanocomposites Using Support Vector Machines," Computational Materials Science 99 (2015): 316-325. DOI: 10.1016/j.commatsci.2014.12.029
  • Asadi, E., * Asle Zaeem, M., * Nouranian, S., and Baskes, M.I. "Quantitative Modeling of the Equilibration of Two-Phase Solid-Liquid Fe by Atomistic Simulations on Diffusive Time Scales," Physical Review B 91(2) (2015): 024105 (13 Pages). DOI: 10.1103/PhysRevB.91.024105
  • Asadi, E., * Asle Zaeem, M., * Nouranian, S., and Baskes, M.I. "Two-Phase Solid-Liquid Coexistence of Ni, Cu, and Al by Modified Embedded-Atom Method," Acta Materialia 86 (2015): 169-181. DOI: 10.1016/j.actamat.2014.12.010
  • Nouranian, S., Tschopp, M.A., Gwaltney, S.R., Baskes, M.I., * and Horstemeyer, M.F. "An Interatomic Potential for Saturated Hydrocarbons Based on the Modified Embedded-Atom Method," Physical Chemistry Chemical Physics 16(13) (2014): 6233-6249. DOI: 10.1039/C4CP00027G

Research Interests

  • Materials Chemistry and Surface Chemistry Modification
  • Interfacial Science and Engineering (Interfacial Phenomena in Materials)
  • Multi-functional Polymer-Matrix Nanocomposites (Graphene-, Carbon Nanotube-, Carbon Nanofiber, Cellulose Nanocrystal-based Nanocomposites)
  • Non-reactive and Reactive Molecular Dynamics (MD) Simulation (Computational Materials Science and Engineering)
  • Materials in Extreme Environments (Energetic Flux Extremes, Temperature Extremes, Microgravity, Chemical Extremes, Electromagnetic Extremes, and Extraterrestrial Environments)
  • Drug Delivery and Targeting Simulations
  • Colloidal Systems and Surfactant-Assisted Stabilization of Suspensions
  • Reactive Potential Development for MD Simulations of Organometallic Material Systems
  • Simulation of Membrane Separations for Gases and Liquids
  • Additive Manufacturing of Ionic Liquid Epoxy-based Materials

Research Group

  • Farzin Rahmani (Ph.D. student)
  • Mina Mahdavi (Ph.D. student)
  • Amir Khakpay (Ph.D. student)
  • Jaeyong Shin (Master's student) (Graduated: Fall 2016)
  • Haley McFall (Undergraduate student) (Graduated)
  • Zachary Zosel (Undergraduate student) (Graduated)
  • Alex Brown (Undergraduate student)

Student Achievements

  • Farzin Rahmani: Best Graduate Research Award, American Chemical Society (ACS) Local Ole Miss Chapter (April 2017).