M. Abbaspour

发表

Thermodynamics, Structure, and Dynamic Properties of Nanostructured Water Confined into B-, N-, and Si-Doped Graphene Surfaces and Carbon Nanotubes

H. Akbarzadeh, M. Abbaspour, Shadi Zaeifi, 2020 .

Density-dependent phase transition in nano-confinement water using molecular dynamics simulation

H. Akbarzadeh, M. Abbaspour, S. Salemi, 2018 .

Formation of methane clathrates in carbon nanotubes: a molecular dynamics study

H. Akbarzadeh, M. Abbaspour, S. Salemi, 2018 .

Investigation of melting and freezing of Ag–Au alloy nanoclusters supported on carbon nanotube using molecular dynamics simulations

H. Akbarzadeh, M. Abbaspour, 2016 .

Properties of silver nanoclusters and bulk silver, using a new and accurate HFD-like potential, including many-body interactions: the inversion scheme and molecular dynamics simulation

H. Akbarzadeh, M. Abbaspour, S. Salemi, 2016 .

Nanoparticle-enhanced hydrogen separation from CO2 in cylindrical and cubic microchannels: A 3D computational fluid dynamics simulation

M. Makarem, M. Farsi, M. R. Kiani, 2022, International Journal of Hydrogen Energy.

Boron Nitride- and Graphene-Supported Trimetallic Yolk–Shell and Hollow Nanoparticles

H. Akbarzadeh, M. Abbaspour, S. Salemi, 2022, Industrial & Engineering Chemistry Research.

Effects of diameter and chirality on structural and dynamical behavior of [EMIM][PF6] encapsulated in carbon nanotube: A molecular dynamics study

H. Akbarzadeh, M. Abbaspour, 2015 .

Thermal Stability and Melting Mechanism of Diamond Nanothreads: Insight from Molecular Dynamics Simulation

H. Akbarzadeh, M. Abbaspour, S. Salemi, 2022, Colloids and Surfaces A: Physicochemical and Engineering Aspects.

Molecular insight into C60-grafted graphene oxide as a novel reverse osmosis membrane with low energy consumption for seawater desalination

H. Akbarzadeh, M. Abbaspour, S. Salemi, 2022, Desalination.

Yolk-Shell Nanoparticles with Different Cores: a Molecular Dynamics Study

H. Akbarzadeh, A. Shamkhali, M. Abbaspour, 2022, Colloids and Surfaces A: Physicochemical and Engineering Aspects.

Investigation of Possible Formation of Au@M (M = Cu, Ir, Pt, and Rh) Core–Shell Nanoclusters in a Condensation–Coalescence Process Using Molecular Dynamics Simulations

H. Akbarzadeh, M. Abbaspour, S. Salemi, 2018, Industrial & Engineering Chemistry Research.

Investigation of different effects on the capacity of supercapacitor comprising an ionic liquid between graphene oxide nanosheets

H. Akbarzadeh, M. Abbaspour, S. Salemi, 2018, Journal of Molecular Liquids.

Computation of some thermodynamics, transport, structural properties, and new equation of state for fluid methane using two-body and three-body intermolecular potentials from molecular dynamics simulation

M. Abbaspour, 2011 .

New regularities and an equation of state for liquids

A. Morsali, E. Goharshadi, M. Abbaspour, 2005 .

Molecular dynamics simulation of liquid water and ice nanoclusters using a new effective HFD‐like model

Mohsen Abbaspour, Hamed Akbarzadeh, Sirous Salemi, 2018, J. Comput. Chem..

Some thermodynamic properties of fluids SF6, SF6–Ar, and SF6–Kr using new HFD-like potentials including three-body interactions: The inversion method and molecular dynamics simulation

M. Abbaspour, S. N. Borj, 2012 .

Some thermodynamics and transport properties and new equation of state for fluid hydrogen using a new intermolecular potential

M. Abbaspour, Sh. Shakehnia, 2012 .

Transport, thermodynamic, and structural properties of fluid ammonia using a new intermolecular potential: The inversion method and molecular dynamics simulation

M. Abbaspour, 2011 .

Many-body effects in some thermodynamic properties of supercritical CO2, CO2–Ar, and CO2–CH4 using HFD-like potentials from molecular dynamics simulation

M. Abbaspour, E. Nameni, 2013 .

An accurate expression for radial distribution function of the Lennard-Jones fluid

G. Mansoori, A. Morsali, E. Goharshadi, 2005 .

Molecular dynamics simulation of anticancer drug delivery from carbon nanotube using metal nanowires

Mohsen Abbaspour, Majid Namayandeh Jorabchi, Hamed Akbarzadeh, 2019, J. Comput. Chem..

Effective potential for many-body interactions in some properties of the HFD-like solids

M. Abbaspour, Alireza Farmanbar, Z. Borzouie, 2015 .

Size dependence of the equation of state for Ne nanoclusters from an effective two-body potential via molecular dynamics simulations

H. Akbarzadeh, M. Abbaspour, Hamed Akbarzadeh, 2015 .

Investigation of doped carbon nanotubes on desalination process using molecular dynamics simulations

H. Akbarzadeh, M. Abbaspour, S. Salemi, 2021, Journal of Molecular Liquids.

Melting Behavior of Bimetallic and Trimetallic Nanoparticles: A Review of MD Simulation Studies

H. Akbarzadeh, A. Shamkhali, M. Abbaspour, 2021, Topics in Current Chemistry.

AunPdm nanoclusters supported on bundles of nanotubes and graphite surface: A comprehensive molecular dynamics study

H. Akbarzadeh, A. Shamkhali, M. Abbaspour, 2016 .

Effect of systematic addition of the third component on the melting characteristics and structural evolution of binary alloy nanoclusters

H. Akbarzadeh, M. Abbaspour, E. Mehrjouei, 2018 .

Phase transition in crown-jewel structured Au-Ir nanoalloys with different shapes: a molecular dynamics study.

H. Akbarzadeh, M. Abbaspour, E. Mehrjouei, 2016, Physical chemistry chemical physics : PCCP.

Competition between stability of icosahedral and cuboctahedral morphologies in bimetallic nanoalloys.

H. Akbarzadeh, M. Abbaspour, E. Mehrjouei, 2017, Physical chemistry chemical physics : PCCP.

Propene adsorption on gold–palladium nanoalloys supported on bundle nanotubes

H. Akbarzadeh, M. Abbaspour, Elham Khomarian, 2016 .

Many-body and quantum effects in the surface tension and surface energy of liquid neon and argon using the Fowler’s approximation

M. Abbaspour, 2012 .

Some properties of solid helium and helium nanoclusters using the effective HFD-like interaction potential: Adsorption and desorption inside carbon nanotube

H. Akbarzadeh, M. Abbaspour, A. Sotoudeh, 2018 .

Quantum computation of the properties of helium using two-body and three-body intermolecular potentials: a molecular dynamics study

E. Goharshadi, M. Abbaspour, Hamideh Kashani, 2008 .

Investigation of size dependence of the properties of Cu nanoclusters using molecular dynamics simulations

H. Akbarzadeh, M. Abbaspour, 2016 .

Pt Core Confined within an Au Skeletal Frame: Pt@Void@Au Nanoframes in a Molecular Dynamics Perspective

H. Akbarzadeh, A. Shamkhali, M. Abbaspour, 2021, Colloids and Surfaces A: Physicochemical and Engineering Aspects.

Thermal behavior of different types of Au–Pt–Pd nanoparticles: Dumbbell-like, three-shell, core-shell, and random-alloy

H. Akbarzadeh, M. Abbaspour, S. Salemi, 2022, Materials Chemistry and Physics.

Effects of pressure, nanoalloy size, and nanoalloy mole fraction on melting of Ir-Rh nanoalloys using molecular dynamics simulations

H. Akbarzadeh, M. Abbaspour, 2017 .

Mo nanocluster under high pressure: A molecular dynamics study

H. Akbarzadeh, M. Abbaspour, 2016 .

Unexpected trend for thermodynamic stability of Au@void@AgAu yolk-shell nanoparticles: A molecular dynamics study

H. Akbarzadeh, A. Shamkhali, M. Abbaspour, 2018, Applied Surface Science.

Thermodynamic, structural, and dynamical properties of nano-confined water using SPC/E and TIP4P models by molecular dynamics simulations

H. Akbarzadeh, M. Abbaspour, Elham Jalalitalab, 2018 .

Stability of Pd@void@M (M=Ni, Ag, and Pt) yolk shell nanoparticles controlled by structural factors: A molecular dynamics perspective

H. Akbarzadeh, A. Shamkhali, M. Abbaspour, 2021 .

Investigation of the melting of ionic liquid [emim][PF6] confined inside carbon nanotubes using molecular dynamics simulations

H. Akbarzadeh, M. Abbaspour, S. Salemi, 2015 .

Surface energy, relative stability, and structural properties of Au-Pt, Au-Rh, Au-Cu, and Au-Pd nanoclusters created in inert-gas condensation process using MD simulation

M. Abbaspour, Zahra Valizadeh, 2020 .

Effect of support on the coalescence between Ag@Au nanoalloys using MD simulations

H. Akbarzadeh, M. Abbaspour, S. Salemi, 2017 .

Carbon monoxide adsorption on the single-walled carbon nanotube supported gold–silver nanoalloys

H. Akbarzadeh, M. Abbaspour, S. Salemi, 2016 .

Investigation of thermodynamic, dynamic, and structural properties of H2 adsorption on a Ag-Au nanoalloy with a carbon nanotube support.

H. Akbarzadeh, M. Abbaspour, S. Salemi, 2015, Chemphyschem : a European journal of chemical physics and physical chemistry.

A comprehensive study of methane/carbon dioxide adsorptive selectivity in different bundle nanotubes

H. Akbarzadeh, M. Abbaspour, 2016 .

Investigation of temperature and pressure effects on thermodynamics and structural properties of gold nanoparticles formed during the gas condensation procedure

M. Abbaspour, Samira Lotfi, 2019, Journal of Molecular Liquids.

Concave Pd-M (M = Co, Ni, Cu, Rh, Ag, Ir, Pt, and Au) Nanocubes Explored by Molecular Dynamics Simulations: a Liquid-like Expansion Mechanism

H. Akbarzadeh, M. Abbaspour, E. Mehrjouei, 2022, Applied Surface Science.

Au–Ir nanoalloy nucleation during the gas-phase condensation: a comprehensive MD study including different effects

H. Akbarzadeh, M. Abbaspour, Zahra Valizadeh, 2018 .

A comprehensive molecular dynamics investigation on confinement of PtnCum nanocluster inside carbon nanotubes

H. Akbarzadeh, A. Shamkhali, M. Abbaspour, 2017 .

New molecular insights into the stability of Ni–Pd hollow nanoparticles

H. Akbarzadeh, A. Shamkhali, M. Abbaspour, 2017 .

Investigation of the thermal properties of phase change materials encapsulated in capped carbon nanotubes using molecular dynamics simulations

H. Akbarzadeh, M. Abbaspour, M. N. Jorabchi, 2021, RSC advances.

Molecular dynamics simulation of carbon peapod-like nanomaterials in desalination process

H. Akbarzadeh, M. Abbaspour, Narges Ahmadi, 2021, Desalination.

Investigation of thermal, structural and dynamical properties of (Aux–Cuy–Niy)N=32,108,256 ternary nanosystems: effect of Au addition to Cu–Ni bimetallic nanoclusters via MD simulation

H. Akbarzadeh, M. Abbaspour, E. Mehrjouei, 2016 .

A molecular dynamics study of the effect of the substrate on the thermodynamic properties of bound Pt-Cu bimetallic nanoclusters.

H. Akbarzadeh, A. Shamkhali, M. Abbaspour, 2016, Physical chemistry chemical physics : PCCP.

Nanotube diameter dependency of anisotropic pressure of an ionic liquid confined in a carbon nanotube: A molecular dynamics study for [emim][PF6] case

H. Akbarzadeh, M. Abbaspour, Elham Khomarian, 2016 .

Molecular dynamics simulation of noble gas adsorption on graphite: New effective potentials including many-body interactions

H. Akbarzadeh, M. Abbaspour, S. Salemi, 2016 .

A comparative study of graphite and CNT supported Au-Ag, Au-Pd, Au-Pt and Au-Rh nanoalloys using MD simulation

M. Abbaspour, Parnian Yousefi, Vahid Sokhanvaran, 2019, Journal of Molecular Liquids.

Investigation of solvation of iron nanoclusters in ionic liquid 1-butyl-1,1,1-trimethylammonium methane sulfonate using molecular dynamics simulations: Effect of cluster size at different temperatures.

H. Akbarzadeh, M. Abbaspour, Parnian Yousefi, 2017, Journal of colloid and interface science.

Injection of mixture of shale gases in a nanoscale pore of graphite and their displacement by CO2/N2 gases using molecular dynamics study

Mohsen Abbaspour, Hamed Akbarzadeh, Sirous Salemi, 2017 .

Investigation of thermal evolution of copper nanoclusters encapsulated in carbon nanotubes: a molecular dynamics study.

H. Akbarzadeh, M. Abbaspour, S. Salemi, 2015, Physical chemistry chemical physics : PCCP.

Equation of state, elastic constants, and melting curve of solid neon using an effective two-body potential including quantum corrections

M. Abbaspour, Z. Borzouie, 2014 .

AgPd@Pt nanoparticles with different morphologies of cuboctahedron, icosahedron, decahedron, octahedron, and Marks-decahedron: insights from atomistic simulations

H. Akbarzadeh, M. Abbaspour, E. Mehrjouei, 2018 .

Au–Fe nanoparticles visited by MD simulation: structural and thermodynamic properties affected by chemical composition

H. Akbarzadeh, A. Shamkhali, M. Abbaspour, 2018 .

Prediction of surface tension of HFD-like fluids using the Fowler’s approximation

E. Goharshadi, M. Abbaspour, 2006 .

Phase transitions in nanostructured water confined in carbon nanotubes by external electric and magnetic fields: a molecular dynamics investigation

H. Akbarzadeh, M. Abbaspour, S. Salemi, 2021, RSC advances.

Structure, dynamics, and morphology of nanostructured water confined between parallel graphene surfaces and in carbon nanotubes by applying magnetic and electric fields.

H. Akbarzadeh, M. Abbaspour, S. Salemi, 2021, Soft matter.

Computation of some thermodynamic, structural, and transport properties of fluid oxygen using two-body and three-body intermolecular potentials from molecular dynamics simulation

M. Abbaspour, H. Ghahremani, 2010 .

Investigation of thermodynamics, and structural, dynamical, and electrical properties of polyoxometalate ionic liquid confined into carbon nanotubes during the melting process using molecular dynamics simulation

M. Abbaspour, F. M. Zonoz, Zahra Khalilzadeh, 2022, RSC advances.

Ag–Au nanoparticles encapsulated inside porous hollow carbon nanospheres: a molecular dynamics study

H. Akbarzadeh, M. Abbaspour, E. Mehrjouei, 2018 .

Coalescence process of gold/silver core-shell nanoparticles located on carbon nanotube and graphene surfaces

H. Akbarzadeh, M. Abbaspour, S. Salemi, 2017 .

Delivery of Cisplatin Anti-Cancer Drug from Carbon, Boron Nitride, and Silicon Carbide Nanotubes Forced by Ag-Nanowire: A Comprehensive Molecular Dynamics Study.

H. Akbarzadeh, A. Shamkhali, M. Abbaspour, 2017, Molecular pharmaceutics.

Au@Pt and Pt@Au nanoalloys in the icosahedral and cuboctahedral structures: Which is more stable?

H. Akbarzadeh, M. Abbaspour, E. Mehrjouei, 2017 .

Nucleation, coalescence, thermal evolution, and statistical probability of formation of Au/Ir/Pd nanoalloys in gas-phase condensation process

M. Abbaspour, M. N. Jorabchi, Zahra Valizadeh, 2019, Journal of Molecular Liquids.

Au@void@AgAu Yolk-Shell Nanoparticles with Dominant Strain Effects: A Molecular Dynamics Simulation.

H. Akbarzadeh, A. Shamkhali, M. Abbaspour, 2017, The journal of physical chemistry letters.

Different morphologies of aluminum nanoclusters: Effect of pressure on solid-liquid phase transition of the nanoclusters using molecular dynamics simulations

H. Akbarzadeh, M. Abbaspour, 2017 .

Icosahedral Ir, Rh, Pt, and Cu nanoclusters into gold vapor environment: Thermodynamic and structural analysis of the formed core@shell nanoclusters using MD simulations

H. Akbarzadeh, M. Abbaspour, Samira Lotfi, 2018, Journal of Alloys and Compounds.

Computation of some thermodynamics, transport, structural properties, and new equation of state for fluid neon using a new intermolecular potential from molecular dynamics simulation

E. Goharshadi, M. Abbaspour, 2010 .

Determination of potential energy functions and calculation transport properties of oxygen and nitri

E. Goharshadi, M. Abbaspour, J. Shakhsemampour, 2006 .

Determination of potential energy functions of CO-CO, CO2-CO2, and N2O-N2O and calculation of their

E. Goharshadi, M. Abbaspour, 2006 .

Pt–Co nanocluster in hollow carbon nanospheres

Mohsen Abbaspour, Hamed Akbarzadeh, Esmat Mehrjouei, 2018, J. Comput. Chem..

Accurate melting temperatures for Ne nanoclusters and bulk from an effective two-body potential via molecular dynamics simulations

M. Abbaspour, Hamed Akbarzadeh, 2014 .

Delivery of Cisplatin Anti-Cancer Drug from Carbon, Boron Nitride, and Silicon Carbide Nanotubes Forced by Ag-Nanowire: A Comprehensive Molecular Dynamics Study.

A. Shamkhali, M. Abbaspour, S. Salemi, 2017, Molecular pharmaceutics.

Molecular dynamics simulation of desalination process using polyoxometalate ionic liquid confined in carbon nanotubes

M. Abbaspour, Majid Namayandeh Jorabchi, Hamed Akbarzadeh, 2023, Journal of Molecular Liquids.

Investigation of small inhibitor effects on methane hydrate formation in a carbon nanotube using molecular dynamics simulation

M. Abbaspour, S. Salemi, Hamed Akbarzadeh, 2023, RSC advances.

An extended expression for the radial distribution function of HFD-like fluid for investigation of many-body and quantum effects in some transport properties

M. Abbaspour, M. N. Jorabchi, 2014 .

Many-body and quantum effects in some thermodynamic properties and infinite shear modulus of HFD-like fluid using the radial distribution function

M. Abbaspour, A. Keyvanloo, 2013 .

Extended many-body potential of Hauschild and Prausnitz for pure HFD-like fluids

M. Abbaspour, Nasrin Naderkhovy, 2014 .

Computation of some thermodynamic properties of helium–neon and helium–krypton fluid mixtures using molecular dynamics simulation

E. Goharshadi, M. Abbaspour, M. N. Jorabchi, 2010 .

Molecular Dynamics Simulation of Argon, Krypton, and Xenon Using Two-Body and Three-Body Intermolecular Potentials.

E. Goharshadi, M. Abbaspour, 2006, Journal of chemical theory and computation.

Molecular dynamics simulation of Pt@Au nanoalloy in various solvents: Investigation of solvation, aggregation, and possible coalescence

E. Goharshadi, M. Abbaspour, S. Wohlrab, 2023, Journal of Materials Research and Technology.