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Ongoing Projects

My current projects focus on Thermodynamics and Fluids Flow of Small Molecules under Nanoconfinement.

Previous Projects

My previous project's main focus is on two-dimensional (2D) materials and the investigation of their properties. I mainly work on the thermal and mechanical properties, kapitza resistance in 2D heterostructures, finding the mechanism and correlations between properties, and tunning the properties according to users' needs utilizing computational methods (mainly Molecular Dynamics and Density Functional Theory).

Graphene Polymorphs

Thermal conductivity and the mechanical properties of graphene polymorphs and compounds: from C3N to graphdiyne lattices. 

2D Black Phosphorene

Tuning shear mechanical properties and tensile strength anisotropy of monolayer black phosphorene using molecular dynamics simulations

2D Heterostructures 

Lattice-dynamics based descriptors for the Interfacial Thermal Conductance (ITC) across 2D carbon-based nanostructures

MXene Structures

Probing the mechanical behaviors of titanium nitride and carbide MXenes employing  molecular dynamics simulation

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