Electrodialysis desalination: Borophene membrane for ion separation using non-equilibrium molecular dynamics

Effective Low-Energy Hamiltonians and Unconventional Landau-Level Spectrum of Monolayer C3N

Molecular dynamics simulation of the penetration resistance of graphene woven fabrics membrane impacted by nanoparticles

Mechanical loading of graphene quantum dots on Staphylococcus aureus surface protein G: A molecular dynamics study

Molecular dynamic simulation of crack growth in Ti/TiN multilayer coatings

A molecular dynamics simulation of Ti–TiN multilayer deposition on FeCrNi(001) alloy substrate

Indirect exchange interaction between magnetic impurities in one-dimensional gapped helical states

Separation-Based Adsorption of H2 from Binary Mixtures inside Single, Double, Triple Walled Boron-Nitride Nanotubes: A Grand- Canonical Monte-Carlo Study

Glass transition temperature of PMMA/modified alumina nanocomposite: molecular dynamic study

Nontrivial tensile behavior of rutile TiO2 nanowires: a molecular dynamics study

Wettability of boron monolayer using molecular dynamics simulation method

The effect of alumina nanoparticles on the thermal properties of PMMA: a molecular dynamics simulation

Stability and thermal behavior of molybdenum disulfide nanotubes: Nonequilibrium molecular dynamics simulation using REBO potential

Deconstruction of the human connexin 26 hemichannel due to an applied electric field; A molecular dynamics simulation study

Thermal Stability of SingleWalled SiGe Nanotube with Vacancy Defects: a Molecular Dynamics Simulation Study

The glass transition temperature of PMMA: A molecular dynamics study and comparison of various determination methods

Computation of the thermal resistance in graphene sheets with a rectangular hole

Molecular dynamics simulations of the melting of Al–Ni nanowires

Molecular dynamics simulation of a Gold nanodroplet in contact with graphene

In-plane thermal conductivity of graphene nanomesh: A molecular dynamics study

High pressure molecular dynamics simulation of Au-x%Ni alloys

the effect of linear imperfection in [001] direction on the thermal properties of silver crystal

Molecular Dynamics Simulation of Thermal Conductivity of Aluminum

Molecular dynamics simulation of graphene woven fabric/polyethylene nanocomposite

The effect of random vacancy defect on mechanical properties of Graphene/Polyethylene

Investigation of M-Graphene nanostructured phase transition using molecular dynamics approach

Investigation of mechanical properties in new 2D-structure Irida- Graphene by using molecular dynamics simulation

Simulation of Biphenylene and investigation of its thermodynamically properties in melting process

Investigation of thermal properties of Irida-graphene sheet

Investigation of melting process of 2D titanium carbideds MXenes by molecular dynamics simulation method

Investigating of thermal stability of BC2N nanosheet by using molecular dynamics simulation method

Graphene/6-6-12 Graphyne superlattice: the tunable heat and structural properties

Melting of Double Walled γ- graphyne nanotubes using molecular dynamics simulation

Investigation of thermal conductivity of Y-graphene using molecular dynamics simulation

The comparative study of mechanical properties of armchair and zigzag borophene nanotubes

Investigation of Y-graphene phase transition using molecular dynamics approach

Investigation of melting process of pentahexoctite carbon structure using molecular dynamics simulation

Investigation of melting process of β-graphyne nanostructure by molecular dynamics simulation method

The effect of temperature rise rate on graphene sublimation

The effect of random defect in the single and bilayer graphene membranes on the impact strength of fullerene C180 using molecular dynamics simulations

water structural and dynamics inside molybdenum disulfide nanotubes

Molecular dynamics simulation of water configuration inside molybdenum disulfide

Thermal diffusivity of PMMA/Alumina Nano composites using molecular dynamics simulation

Glass Transition Temperature of PMMA/modifiead Alumina Nanocomposite

Molecular dynamic simulation of TiO2 cylinder-shaped nanoparticle tensile test

Investigation of Mechanical Properties of Borophene: A Molecular Dynamics Simulation Study

study of the Ruderman-Kittel-Kasuya-Yosida interaction in the edge mode of a topological insulator

Molecular dynamics simulation of mechanical properties and glass transition of PMMA

Molecular dynamic simulation of TiO2 cubic-shaped nanoparticles melting

Investigation of the electronic properties of single layers of molybdenum sulfide atomic defects using density functional theory

The effect of lattice vacancy on the melting of silicon-germanium nanotube

The study of Thermal properties of SiGe nanotube

Molecular Dynamics Simulation of Silicon Layers Growth by Chemical Vapor Deposition

Effect of temperature on the structural properties of connexin26 hemichannels; Molecular Dynamics simulation

Wetting Behavior of Molten Au Nanodroplet on the Graphene

The Effects of Cross Section Shapes of Nickel Nanowires on its Thermal Properties

Neck width effect on melting of graphene nanomesh

Molecular dynamics simulation of a Gold nanodroplet in contact with graphene

Melting of Boron-Nitride armchair nanotube

Wetting Behavior of Molten Ag Nanodroplet on the Cu Substrate