Highly accomplished Computational Chemist and Materials Scientist with over 8 years of experience driving innovative research in periodic DFT, MD simulations, and electronic structure analysis. Recognized for significant contributions to energy materials, catalysis, NLO materials, and organic photovoltaics, evidenced by 22+ peer-reviewed publications, 667 citations, an h-index of 12, and an i-10 index of 13. Actively seeking a leading scientist role in an academic research laboratory, industry, or research institution to leverage expertise in quantum simulations, data-driven modeling, and functional materials design, complemented by experience reviewing 10+ scientific manuscripts.
Ph.D. Research Scholar - Computational Chemistry
Jinan, Shandong, China
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Summary
Led advanced computational chemistry research, focusing on the design and optimization of metal-carbon composite clusters for cutting-edge non-linear optical (NLO) and multifunctional electrocatalysis applications.
Highlights
Pioneered the theoretical design of novel metal-carbon composite clusters, advancing their application in non-linear optical (NLO) and multifunctional electrocatalysis.
Modeled complex catalyst surfaces and charge-transfer dynamics using periodic DFT, revealing key mechanisms for electrochemical functional materials.
Investigated photophysical behavior and excited-state mechanisms of π-conjugated and NLO systems via TD-DFT, simulating UV-Vis absorption spectra for diverse energy applications.
Developed and validated structure-reactivity models for Hydrogen Evolution Reaction (HER) and Oxygen Evolution/Reduction Reactions (OER/ORR) catalysis.
Published 18+ peer-reviewed articles in high-impact journals, contributing to 667 citations, an h-index of 12, and an i-10 index of 13, and received the Best Research Student Award (2021).
Lecturer in Chemistry
Okara, Punjab, Pakistan
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Summary
Educated and mentored over 200 students annually in general, physical, and organic chemistry, while driving curriculum innovation and academic program coordination.
Highlights
Designed and delivered comprehensive general, physical, and organic chemistry courses, incorporating green chemistry principles and practical experimental modules.
Organized and led successful STEM fairs, enhancing student engagement and promoting scientific literacy within the academic community.
Recognized with the Excellent Academic Coordinator Award (2019) for outstanding contributions to student mentoring and curriculum development.
M.Phil. Research Scholar
Faisalabad, Punjab, Pakistan
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Summary
Conducted advanced computational research utilizing Density Functional Theory (DFT) to analyze the interactions of Coronene with silver metal clusters, contributing to clean energy applications.
Highlights
Executed comprehensive DFT simulations to investigate the intricate interactions and adsorption-desorption behavior of Coronene with silver metal clusters (Agn, n=2-10).
Analyzed the optical and electronic properties of doped nanoclusters, identifying key characteristics for their application in clean energy technologies.
Developed theoretical designs for advanced metal clusters and acceptor-donor materials, optimizing their performance for organic solar cell applications.
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Ph.D.
Physical Chemistry
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M.Phil.
Chemistry
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B.S.
Chemistry (Hons.)
Awarded By
Punjab Group of Colleges
Recognized for outstanding contributions to student mentoring and curriculum enhancement.
Awarded By
Government College University Faisalabad
Awarded for significant contributions in computational chemistry research.
Awarded By
Microsoft
Certified in Microsoft Office 2016 for advanced productivity.
Awarded By
University of Education Lahore
Awarded for academic excellence based on outstanding scholastic achievement.
Awarded By
University of Education Lahore
Achieved first position in the University Qualification Examination Part-I.
Awarded By
University of Education Lahore
Recognized for exceptional academic merit and achievement.
Published by
Journal of Molecular Graphics and Modelling
Summary
Led research on engineering alkali metal-doped diazadioxacirculenes to enhance nonlinear optical responses through quantum chemical methods.
Published by
Comput. Theor. Chem.
Summary
Investigated the impact of end-capped acceptor units on donor materials, optimizing photovoltaic properties for organic solar cells.
Published by
Chemistry Select
Summary
Developed novel triphenylamine-configured donor materials, demonstrating promising photovoltaic properties for high-efficiency organic solar cells.
Issued By
Microsoft
Periodic DFT, MD Simulations, Electronic Structure Analysis, VASP, Gaussian, Quantum ESPRESSO, ORCA, AMS, ASE, GROMACS, Crystal Explorer, Multiwfn, XCrySDen, Avogadro, ChemDraw, Material Studio, VMD, GaussSum, Pymolyze, TD-DFT, SHARC, Newton-X, PCM, COSMO.
Python, C, C++, R, SQL, Bash, PowerShell, NumPy, Pandas, scikit-learn, TensorFlow, PyTorch, Workflow Scripting, Automation.
Linux/Unix (Ubuntu), Windows, HPC Clusters, CPU/GPU Parallelization, CUDA.
FT-IR, UV-Vis, ¹H-NMR, ¹³C-NMR, SEM-EDX, XPS, XRD, BET, TGA/DSC, Cyclic Voltammetry, Electrochemical Impedance Spectroscopy (EIS), Potentiostat (Gamry), DLS, Zeta Potential, HPLC, LC-MS, GC-MS, Optical Microscopy.
Origin, ImageJ, Gnuplot, Xpert HighScore, Mercury.
Microsoft Office, Google Workspace, Mendeley, EndNote, Zotero.
CorelDRAW, Adobe Illustrator, Adobe Photoshop.
Research & Innovation, Scientific Writing, Presentations, Technical Reporting, Interdisciplinary Collaboration, Project Management, Mentorship (UG/PG Researchers), Grant Management, Adaptability, Data-Driven Modeling.
School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, China. Email: shibocheng@sdu.edu.cn, Phone: +86 18668906465
Assistant Professor, Department of Chemistry, University of Okara, Okara, 56300, Pakistan. Email: riazhussain@uo.edu.pk, Phone: +92 3336757473
Associate Professor, School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, China. Email: leizhangsd1992@sdu.edu.cn, Phone: +86 18769785600
Associate Professor, School of Chemistry, Dalian University of Technology, Dalian, 116024, P. R. China. Email: xliu@dlut.edu.cn, Phone: +86 15998575298