プロフィール詳細

プロジェクトを作成

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Irslan U.に依頼

Pakistan

Theroretical Physicist material modeling and simulation expert, Relevant coding, data_handling LAMMPS VASP ADF BAND

プロフィール概要

Welcome to my Profile I am Irslan Ullah and I am a currently working as PhD in Condensed Matter Physics and Quantum Technology Group in University of Catania, I am practicing my Major part of research in National Research Centre(CNR) Italy. Currently I am exploring materials using classical methods as implemented in LAMMPS but i also had experience with quantum methods or DFT as implemented in ADF:BAND, and VASP. Here are my Profile highlights. • I am experiencing modeling spin defects in silicon carbide for quantum technologies, I am also simulating ion implantation to generate defect cascade and how it led to defect evolution and energetics. Much of work is done with classical MD • I have experience of implementing theoretical methods in code ADF-BAND ,ReaxFF and DFTB and VASP to accomplish my MS and BS Research the work in BS has been published 10.1007/s10832-xxxxxxxxxx. During my MS Research, I have worked on Li ion batteries cathode materials implementing DFT, MD and Nudged Elastic Band (NEB) to study the atomic-scale dynamics of Li ions in the material .I have two First Author publications on this (10.1016/j.jechem.2017.09.007 , (2nd 10.1007/s10854-xxxxxxxxx-x). • I have also working with NEGF to study transport properties in molecular devices but I am not expert of this. • I have worked on TM doped SiC for its application as DSSC counter electrode material. Related work has been published recently (10.1016/j.susc.2019.05.001). I studied charge transfer analysisZZFRGGF • I am also working with Material Science group UOG and recently worked as trainer in the National workshop organized by the Group. moreover I have experience of building and managing the group website and all the hardware and software of the material science group. if my qualities are relevant to your project we can discuss to carry on

専門分野

• ★ Computer Simulation/Computational Modeling
• ★ Computational Physics
• ★ Computational Sciences
• ☆ Chemistry
• ☆ Data Analysis
• ☆ Theoretical Physics

サービス

• Writing
• Research
• Data & AI

Writing Technical Writing

Research Technology Scouting

Data & AI Statistical Analysis, Data Visualization

職務経験

Resarcher

Council for National Research - CNR (Milan, Italy)

11月 2021 - 現在

Lecturar

University of Gujrat

6月 2018 - 現在

Research Assistant

University of Gujrat

1月 2016 - 現在

学歴

MPhil

University of Gujrat

1月 2020 - 1月 2020

M.Phil (Physics)

University of Gujrat

12月 2015 - 2月 2018

BS Hons Physics (Physics)

University of Gujrat

10月 2011 - 11月 2015

認定資格

• 認定資格の詳細は未入力です。

出版物

JOURNAL ARTICLE

(2020). A DFT study on a borophene/boron nitride interface for its application as an electrode . Physical Chemistry Chemical Physics.

(2019). Gadolinium-based olivine phosphate for upgradation of cathode material in lithium ion battery . Journal of Materials Science: Materials in Electronics.

(2019). First principles study of transition metals doped SiC for application as counter electrode in DSSC . Surface Science.

(2018). A review on first principles based studies for improvement of cathode material of lithium ion batteries . Journal of Energy Chemistry.

(2016). Controlling the electronic properties of Gd: MoS2 monolayer with perpendicular electric field . Journal of Electroceramics.