Muhammad Bilal Ahmed Siddique

Computational Chemist & Materials Scientist

Okara, PK.

About

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.

Work

Shandong University

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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).

Punjab Group of Colleges & University of Central Punjab (UCP) Okara campus

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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.

Government College University Faisalabad

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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.

Education

Shandong University

Jinan, Shandong, China
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Ph.D. Physical Chemistry Grade:

Government College University Faisalabad

Faisalabad, Punjab, Pakistan
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M.Phil. Chemistry Grade:

University of Education Lahore

Lahore, Punjab, Pakistan
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B.S. Chemistry (Hons.) Grade:

Awards

Excellent Academic Coordinator Performance Award

Punjab Group of Colleges

Recognized for outstanding contributions to student mentoring and curriculum enhancement.

Best Research Student Award

Government College University Faisalabad

Awarded for significant contributions in computational chemistry research.

Microsoft Office Specialist

Microsoft

Certified in Microsoft Office 2016 for advanced productivity.

University Merit Scholarship

University of Education Lahore

Awarded for academic excellence based on outstanding scholastic achievement.

University Qualification Examination - First Position Part-I

University of Education Lahore

Achieved first position in the University Qualification Examination Part-I.

Laptop Under Prime Minister of Pakistan Merit Scheme

University of Education Lahore

Recognized for exceptional academic merit and achievement.

Publications

Quantum chemical engineering of enhanced nonlinear optical responses in alkali metal-doped diazadioxacirculenes for molecular photonics

Journal of Molecular Graphics and Modelling

Led research on engineering alkali metal-doped diazadioxacirculenes to enhance nonlinear optical responses through quantum chemical methods.

Deciphering the role of end-capped acceptor units for amplifying the photovoltaic properties of donor materials for high-performance organic solar cell applications

Comput. Theor. Chem.

Investigated the impact of end-capped acceptor units on donor materials, optimizing photovoltaic properties for organic solar cells.

Efficient tuning of zinc phthalocyanine-based dyes for dye-sensitized solar cells: A detailed DFT study

RSC Adv.

Conducted a detailed DFT study to optimize zinc phthalocyanine-based dyes, significantly improving their efficiency for dye-sensitized solar cells.

Designing Triphenylamine-Configured Donor Materials with Promising Photovoltaic Properties for Highly Efficient Organic Solar Cells

Chemistry Select

Developed novel triphenylamine-configured donor materials, demonstrating promising photovoltaic properties for high-efficiency organic solar cells.

Languages

English

Certificates

Microsoft Office 2016 Specialist

Microsoft

Skills

Computational Chemistry & Simulation

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.

Programming & Data Science

Python, C, C++, R, SQL, Bash, PowerShell, NumPy, Pandas, scikit-learn, TensorFlow, PyTorch, Workflow Scripting, Automation.

HPC & System Administration

Linux/Unix (Ubuntu), Windows, HPC Clusters, CPU/GPU Parallelization, CUDA.

Analytical & Characterization Techniques

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.

Data Analysis & Visualization

Origin, ImageJ, Gnuplot, Xpert HighScore, Mercury.

Office & Reference Management

Microsoft Office, Google Workspace, Mendeley, EndNote, Zotero.

Graphic Design

CorelDRAW, Adobe Illustrator, Adobe Photoshop.

Research & Leadership

Research & Innovation, Scientific Writing, Presentations, Technical Reporting, Interdisciplinary Collaboration, Project Management, Mentorship (UG/PG Researchers), Grant Management, Adaptability, Data-Driven Modeling.

References

Prof. Dr. Shi-Bo Cheng

School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, China. Email: shibocheng@sdu.edu.cn, Phone: +86 18668906465

Dr. Riaz Hussain

Assistant Professor, Department of Chemistry, University of Okara, Okara, 56300, Pakistan. Email: riazhussain@uo.edu.pk, Phone: +92 3336757473

Dr. Lei Zhang

Associate Professor, School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, China. Email: leizhangsd1992@sdu.edu.cn, Phone: +86 18769785600

Dr. Xin Liu

Associate Professor, School of Chemistry, Dalian University of Technology, Dalian, 116024, P. R. China. Email: xliu@dlut.edu.cn, Phone: +86 15998575298