35 citations · 86 across the 9 of their papers we have counts for
9 papers
First-principles calculations of the electronic and optical properties of penta-graphene monolayer: study of many-body effects
Babak Minaie, Seyed A. Ketabi, José M. De Sousa
In the present work, first-principles calculations based on the density functional theory (DFT), GW approximation and Bethe-Salpeter equation (BSE) are performed to study the elect…
Elasticity of the PCF-graphene-based single-layer and nanotubes performed by state-of-the-art of reactive classical molecular dynamics simulation method
Reza Kalami, Seyed Ahmad Ketabi, José M. De Sousa
A novel two-dimensional carbon allotrope called PCF-graphene has been theoretically proposed. The development of its nanostructured morphology has arrangement a non-aromatic molecu…
Elasticity of Irida-graphene-based and Sun-graphene-based nanotubes: A study by fully atomistic reactive classical molecular dynamics simulations
Reza Kalami, Ramon S. Ferreira, Seyed Ahmad Ketabi +1
In this work, we present a theoretical investigation of the elasticity properties of new exotic carbon allotropes studied recently called Irida-graphene and Sun-graphene. The Irida…
Electronic, dielectric and optical properties of two dimensional and bulk ice: a multi-scale simulation study
S. Ghasemi, M. Alihosseini, F. Peymanirad +4
The intercalated water into nanopores exhibits anomalous properties such as ultralow dielectric constant.~Multi-scale modeling and simulations are used to investigate the dielectri…
Tight-Binding Studio: A Technical Software Package to Find the Parameters of Tight-Binding Hamiltonian
M. Nakhaee, S. A. Ketabi, F. M. Peeters
We present the Tight-Binding Studio (TBStudio) software package for calculating tight-binding Hamiltonian from a set of Bloch energy bands obtained from first principle theories su…
Logarithmic correction of the BTZ black hole and adaptive model of Graphene
Behnam Pourhassan, Mir Faizal, S. Ahmad Ketabi
It is known that almost all approaches to quantum gravity produce a logarithmic correction term to the entropy of a black hole, but the exact coefficient of such a term varies betw…
Polymer as a function of monomer: Analytical quantum modeling
Mohammad Nakhaee, S Ahmad Ketabi
To identify an analytical relation between the properties of polymers and their's monomer a Metal-Molecule-Metal (MMM) junction has been presented as an interesting and widely used…
Condensed Matter Laboratory: new application for quantum simulation
Mohammad Nakhaee, S Ahmad Ketabi, Saeed Amiri +4
The purpose of this paper is to introduce Condensed-Matter-Laboratory (CML) application for simulating solids and nanostructures and calculating different properties of them by den…
Time evolution of nanoscale systems by finite difference method
Mohammad Nakhaee, S Ahmad Ketabi, M Taher Pakbaz +3
Using finite difference method, time evolution of a typical metal molecule metal system is studied by introducing a new method to solve general related Volterra integro differentia…