Research Management System | Persian Gulf University | Hossein Eslami

Name	Hossein Eslami
Affiliation	—
Degree	Ph.D
Website	—
Email	heslami [at] pgu [dot] ac [dot] ir

	Title	Journal
1	Direct nonequilibrium molecular dynamics simulation of diffusio-osmotic flow in nanopores	JOURNAL OF COLLOID AND INTERFACE SCIENCE 724 (2026) 141119-...
2	Hydrophobic Ion Pairing of Polymyxin B with Oleic Acid: A Dissipative Particle Dynamics Simulation Study	Pharmaceutics 17 (2025) 574
3	Computational Analyses of Peganum harmala Alkaloids as Green Corrosion Inhibitors on Fe(110)	LANGMUIR 4 (2025) 3249–3258
4	Continuum−Particle Coupling for Polymer Simulations	Journal of Chemical Theory and Computation 21 (2024) 358-373
5	Self-Assembly of Model Three- and Four-Patch Colloidal Particles in Two Dimensions	Journal of Chemical Theory and Computation 20 (2024) 6858−6869
6	Metadynamics Simulations of Three-Dimensional Nanocrystals Self- Assembled from Triblock Janus Nanoparticles: Implications for Light Filtering	ACS APPLIED NANO MATERIALS 7 (2024) 18045−18055
7	Self-Assembly Pathways of Triblock Janus Particles into 3D Open Lattices	Small 20 (2023) 2306337
8	Understanding Humidity-Enhanced Adhesion of Geckos: Deep Neural Network-Assisted Multi-Scale Molecular Modeling	Small 19 (2023) 2206085
9	Molecular Structure and Dynamics in Wet Gecko β-Keratin	ACS Biomaterials Science & Engineering 9 (2023) 257-268
10	Water uptake by gecko β-keratin and the influence of relative humidity on its mechanical and volumetric properties	Journal of the Royal Society Interface 19 (2022) 20220372.
11	Supramolecular Self-Assembly of Dipalmitoylphosphatidylcholine and Carbon Nanotubes: A Dissipative Particle Dynamics Simulation Study	NANOMATERIALS 12 (2022) 2653
12	How Ethanolic Disinfectants Disintegrate Coronavirus Model Membranes: A Dissipative Particle Dynamics Simulation Study	Journal of Chemical Theory and Computation 18 (2022) 2597−2615
13	Self-Assembly of Model Triblock Janus Colloidal Particles in Two Dimensions	Journal of Chemical Theory and Computation 18 (2022) 1870−1882
14	Atomistic insights into structure, ion-pairing and ionic conductivity of 1-ethyl-3-methylimidazolium methylsulfate [Emim][MeSO4] ionic liquid from molecular dynamics simulation	JOURNAL OF MOLECULAR LIQUIDS 331 (2021) 115803-...
15	Mechanisms of Nucleation and Solid−Solid-Phase Transitions in Triblock Janus Assemblies	Journal of Chemical Theory and Computation 17 (2021) 1742
16	How Alcoholic Disinfectants Affect Coronavirus Model Membranes: Membrane Fluidity, Permeability, and Disintegration	JOURNAL OF PHYSICAL CHEMISTRY B 124 (2020) 10374
17	Coarse-grained molecular dynamics simulations of poly(ethylene terephthalate)	JOURNAL OF CHEMICAL PHYSICS (2020) 114901،
18	Molecular Dynamics Simulation of the Ionic Liquid 1- n - Butyl-3-Methylimidazolium Methylsulfate [Bmim][MeSO 4 ]: Interfacial Properties at the Silica and Vacuum Interfaces	CHEMPHYSCHEM (2020) 1134،
19	Thermal Conductivity of Polyamide-6,6/Carbon Nanotube Composites: Effects of Tube Diameter and Polymer Linkage between Tubes	POLYMERS 11 (2019) 1465
20	Self-Assembly Mechanisms of Triblock Janus Particles	Journal of Chemical Theory and Computation (2019) ،
21	Gaussian Charge Distributions for Incorporation of Electrostatic Interactions in Dissipative Particle Dynamics: Application to Self- Assembly of Surfactants	Journal of Chemical Theory and Computation (2019) 4197،
22	Local bond order parameters for accurate determination of crystal structures in two and three dimensions	PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018) ،
23	Structure and dynamics of stereo-regular poly(methyl-methacrylate) melts through atomistic molecular dynamics simulations	Soft Matter (2018) ،
24	Structure, Dynamics, and Apparent Glass Transition of Stereoregular Poly(methyl methacrylate)/Graphene Interfaces through Atomistic Simulations	MACROMOLECULES (2018) ،
25	Solid-Liquid and SolidSolid Phase Diagrams of Self-Assembled Triblock Janus Nanoparticles from Solution	Journal of Physical Chemistry C (2018) 14،44
26	Atomistic reverse nonequilibrium molecular dynamics simulation of the viscosity of ionic liquid 1-n-butyl 3-methylimidazolium bis(trifluoromethylsulfonyl)imide [bmim][Tf2N]	PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018) 21544،21551
27	Ion-Pairing and Electrical Conductivity in the Ionic Liquid 1nButyl- 3-methylimidazolium Methylsulfate [Bmim][MeSO4]: Molecular Dynamics Simulation Study	JOURNAL OF PHYSICAL CHEMISTRY B (2017) ،
28	A Local Order Parameter-Based Method for Simulation of Free Energy Barriers in Crystal Nucleation	Journal of Chemical Theory and Computation (2017) ،
29	Rheology and morphology of no-slip sheared polymer nanocomposite under creep condition	JOURNAL OF CHEMICAL PHYSICS (2015) ،
30	Nanoconfined polymers: modelling and simulation approaches	MOLECULAR SIMULATION (2015) ،
31	Molecular Dynamics Simulation of a Polyamide-66/Carbon Nanotube Nanocomposite	Journal of Physical Chemistry C (2014) ،
32	Hydrogen bonding in water nanoconfined between graphene surfaces: a molecular dynamics simulation study	JOURNAL OF NANOPARTICLE RESEARCH (2014) ،
33	Equation of state for mercury: revisited	PHYSICS AND CHEMISTRY OF LIQUIDS 51 (2013) 517-523
34	Molecular Dynamics Simulation of a Silica Nanoparticle in Oligomeric Poly(methyl methacrylate): A Model System for Studying the Interphase Thickness in a PolymerNanocomposite via Different Properties	MACROMOLECULES (2013) ،
35	Sorption and diffusion of carbon dioxide and nitrogen in poly(methyl methacrylate)	JOURNAL OF CHEMICAL PHYSICS (2013) ،
36	How Thick is the Interphase in an Ultrathin Polymer Film Coarse- Grained Molecular Dynamics Simulations of Polyamide-6,6 on Graphene	Journal of Physical Chemistry C (2013) ،
37	Coarse Grained Molecular Dynamics Simulation of Nanoconfined Water	CHEMPHYSCHEM (2013) ،
38	Molecular dynamics simulation of the diffusion of nanoconfined fluids	Journal of the Iranian Chemical Society (2013) ،
39	Local chemical potential and pressure tensor in inhomogeneous nanoconfined fluids	JOURNAL OF CHEMICAL PHYSICS (2012) ،
40	Anisotropic heat transport in nanoconfined polyamide-6,6 oligomers: Atomistic reverse nonequilibrium molecular dynamics simulation	JOURNAL OF CHEMICAL PHYSICS (2012) ،
41	A Perturbed Hard Sphere Equation of State for Alkali Metal	FLUID PHASE EQUILIBRIA 263 (2007) 1-5
42	Equation of State for Alkaline Earth Metals: Prediction from Boiling Point Constants	JOURNAL OF CHEMICAL ENGINEERING OF JAPAN 37 (2004) 871-874
43	An Analytical Equation of State for Molten Alkaline Earth Metals from Surface Tension	INTERNATIONAL JOURNAL OF THERMOPHYSICS 25 (2004) 901-908
44	Equation of State for Molten Alkaline Earth Metals from the Heat of Vaporization	HIGH TEMPERATURES-HIGH PRESSURES 35/36 (2004) 447-451