Simulation using density function theory has become more and more important. A log of high impact journal requires authors t provide not only experimental result bu also simulation data.
Recent development has enhanced simulation tools and makes it more and more accurate and essential making discussion and conclusion using experimental data.
Co-publications with Allama Iqbal Open University, Pakistan
Cu ions irradiation-induced defects in graphene and their effects on optical properties
- Shaikh Muhammad Jahanzaib, Abdul Jalil, Samson O Aisida, Zhao Tingkai, Chang-Fu Dee, Michael Sorokin, Ishaq Ahmad, Anwar, Cu ions irradiation-induced defects in graphene and their effects on optical properties Ul-Hamid, Radiation Physics and Chemistry 193, 110008
- Afsheen Farooq, Samson O Aisida, Abdul Jalil, Chang-Fu Dee, Poh Choon Ooi, Michael Sorokin, Naila Jabeen, Ishaq Ahmad, Ting-kai Zhao, C ions irradiation induced defects analysis and effects on optical properties of TiO2 Nanoparticles, Journal of Alloys and Compounds 863, 158635
Using VASP to study Oxygen Evaluation Process
Our group has simulation using Quantum ATK collaborating with National Chiao Tung University (NCTU), Taiwan.
We have initiated some collaboration project with NCTU.
- Calculation and simulation of formation energy of vacancy in a ZnO crystal
In this project, the formation energy for a single vacancy in a 3x3x3 ZnO crystal has been calculated under LCAO basic set by using GGA-PBE method. Its bandstructure was also simulated.
We are able to calculate the energy of formation for a single vacancy. The result will be presenting in the coming 2021 International Symposium on VLSI Technology, Systems and Applications (2021 VLSI-TSA) will be held on April 19-22, 2021 at the Ambassador Hotel Hsinchu, Taiwan.
We can provide Workstation with Intel(R) Xeon(R) CPU E5-2680, Memory of 32GB DDR4 and 512GB SSD drive
Preinstalled with Linux system and Quantum Espresso (Under request)
1) Can be used for Ab-initio Density Functional Simulation
Please contact:
Email address: laboratory.equipment.manager(a)gmail.com