Seyed Milad Hatamlee

Seyed Milad Hatamlee

Computational materials scientist | Molecular simulation, thermodynamics, and nanoscale transport. Research in molecular simulations, nanoconfined fluids, CO2 transport, and phase behavior.

Publications

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Journal articles

  1. Hatamlee SM, Hoepfner M, Elmehlawy M, Lu M, Li Z, Li J. Monte Carlo Informed Modification of Peng-Robinson Equation of State for CO₂/Hydrocarbon Mixtures Confined in Nanopores. Accepted, Langmuir, 2026.

  2. Hatamlee SM, Li J. Molecular dynamics study of fluid flow in silica nanochannels to understand the transition from flow enhancement to reduction. Journal of Molecular Liquids, 2026:129795.

  3. Xia Y, Liu J, Kancharla R, Li J, Hatamlee SM, Ren G, Semeykina V, Hamed A, Kane JJ. Insights into the 3D permeable pore structure within novel monodisperse mesoporous silica nanoparticles by cryogenic electron tomography. Nanoscale Advances, 5(11):2879–2886, 2023.

  4. Ghasemi H, Hatam-Lee SM, Tirkolaei HK, Yazdani H. Biocementation of soils of different surface chemistries via enzyme induced carbonate precipitation (EICP): An integrated laboratory and molecular dynamics study. Biophysical Chemistry, 284:106793, 2022.

  5. Hatamlee SM, Jabbari F, Rajabpour A. Interfacial thermal conductance between gold and SiO₂: A molecular dynamics study. Nanoscale and Microscale Thermophysical Engineering, 2022.

  6. Hatam-Lee SM, Gordiz K, Rajabpour A. Lattice-dynamics-based descriptors for interfacial heat transfer across two-dimensional carbon-based nanostructures. Journal of Applied Physics, 2021.

  7. Arabha S, Aghbolagh ZS, Ghorbani K, Hatam-Lee SM, Rajabpour A. Recent advances in lattice thermal conductivity calculation using machine-learning interatomic potentials. Journal of Applied Physics, 130(21):210903, 2021.

  8. Hatam-Lee SM, Esfandiar A, Rajabpour A. Mechanical behaviors of titanium nitride and carbide MXenes: A molecular dynamics study. Applied Surface Science, 566:150633, 2021.

  9. Hatam-Lee SM, Peer-Mohammadi H, Rajabpour A. Tuning shear mechanical properties and tensile strength anisotropy of monolayer black phosphorene: A molecular dynamics study. Materials Today Communications, 26:101796, 2021.

  10. Hatam-Lee SM, Rajabpour A, Volz S. Thermal conductivity of graphene polymorphs and compounds: From C₃N to graphdiyne lattices. Carbon, 161:816–826, 2020.

Conference presentations

  • Molecular dynamics study of water flow in silica nanochannels: Surface wettability governs the transition from reduction to enhancement. APS Division of Fluid Dynamics, 78th Annual Meeting, November 2025.
  • Modified Peng–Robinson equation of state for CO₂/hydrocarbon binaries under confinement based on Monte Carlo simulations. MUSE All-Hands Meeting, University of Utah, January 2024.
  • Thermal conductivity of graphene polymorphs and compounds: From C₃N to graphdiyne lattices. 7th National Conference on Nanotechnology from Theory to Application, June 2019.