Muhammad Kamran Arif-Physicist | Computational Materials Researcher | Doctoral Researcher in DFT & Nanomaterials Quantum ESPRESSO
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Experience
Research Assistant
University of Jyväskylä
- Conducted computational research on carbon nanotubes using Density Functional Theory (DFT) and Molecular Dynamics (MD) simulations.
- Investigated the structural, electronic, and interfacial properties of carbon nanomaterials, including CNT–water interactions.
- Performed scientific programming and data analysis using Python, Linux, and high-performance computing (HPC) resources.
- Developed reproducible computational workflows and contributed to research documentation and literature review.
Student Internship
University of Jyväskylä
- Performed Density Functional Theory (DFT) simulations using Quantum ESPRESSO to study carbon nanotube (CNT)–substrate interactions
- Calculated binding energies and analyzed interaction behavior between CNTs and solid surfaces
- Computed electronic and dielectric properties of nanoscale systems to understand material response
- Utilized CSC Finland high-performance computing (HPC) resources for large-scale simulations
- Built and visualized atomic structures using VESTA and Avogadro.
- Contributed to computational modeling and data analysis within a collaborative research environment
Ab initio computation of dielectric properties of a single-walled carbon nanotube and SiO₂.
University of Jyväskylä
- Performed Density Functional Theory (DFT) simulations using Quantum ESPRESSO to investigate interactions between carbon nanotubes (CNTs) and SiO₂ substrate
- Calculated binding energies to quantify interaction strength and stability at the nanoscale
- Computed electronic and dielectric properties to analyze material response and interface behavior
- Utilized CSC Finland high-performance computing (HPC) resources for large-scale simulations
- Built and visualized atomic structures using VESTA and Avogadro
- Contributed to understanding van der Waals interactions and interface phenomena in nanoscale systems
2 year
Superior Group of Colleges
- Served as Head of Department (HOD) while lecturing in physics, leading academic planning, curriculum development, and faculty coordination to enhance departmental performance.
- Managed faculty, organized schedules, and ensured quality delivery of physics courses for undergraduate students.
- Mentored students and faculty, fostering a collaborative learning environment and supporting academic growth.
- Oversaw administrative duties and contributed to policy implementation within the college’s science department.
Student Internship
RICAS, Riphah International University
- Engaged in computational research focused on condensed matter physics to deepen understanding of material properties.
- Developed foundational skills in Density Functional Theory (DFT) and gained hands-on experience with Quantum ESPRESSO software for electronic structure calculations.
- Utilized scientific tools including LaTeX (TexMaker, Overleaf), Gnuplot, Xcrysden, and Xmgrace to analyze, visualize, and document research findings.
- Collaborated effectively within a research team, contributing to experimental design, data analysis, and technical problem solving.
- Enhanced research capabilities through application of advanced computational methods and participation in interdisciplinary teamwork.
Tunable Electronic and Thermoelectric Properties of a CdS/BaHfO₃ -(001) van der Waals heterostructure.
Riphah International University
- Performed Density Functional Theory (DFT) simulations using GGA to investigate structural, electronic, and thermoelectric properties of monolayer CdS, BaHfO₃, and their heterostructure.
- Modeled van der Waals interfaces to analyze interfacial interactions and their impact on electronic behavior
- Identified monolayer CdS as a direct bandgap (Γ-Γ') semiconductor and examined its suitability for nanoscale electronic applications
- Analyzed band structure and material properties to understand structure–property relationships in low-dimensional systems
- Contributed to the understanding of heterostructure-based materials for potential electronic and energy applications
4 year
Kips Group Of Colleges
- Progressed from Junior Lecturer (2017) to Senior Lecturer (2021) through consistent excellence in teaching, curriculum development, and student mentorship, demonstrating increasing responsibilities and leadership within the physics department.
- Developed and updated course materials and syllabi to align with current scientific research and educational standards.
- Coordinated with faculty and administration to ensure smooth academic operations and adherence to institutional policies.
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Summary
Computational physicist with experience in condensed matter and material physics research involving the use of DFT and first principles calculation techniques. Has done research on the modeling of electronic, dielectric, and thermoelectric characteristics of nanomaterials using Quantum ESPRESSO. Has a particular interest in multiscale modeling of CNT interactions, solid/liquid interface interactions, and assembly at the nanoscale level.
Theoretical physicist with a specialization in condensed matter and nanomaterial physics. Skilled in performing density functional theory calculations and first-principles simulations utilizing Quantum ESPRESSO software. Familiar with the computation of physical properties of materials, such as electronic, dielectric, and thermoelectric properties, with an increasing emphasis on modeling interatomic interactions at the nanoscale level, such as van der Waals interactions. Acquiring advanced skills in high-performance computing for simulating systems at multiple scales.
Skills
- Computational Methods: Density Functional Theory (Dft), First-Principles Calculations, Electronic Structure Modeling
- Simulation Software: Quantum Espresso
- Emerging Research Skills: Foundational Knowledge Of Molecular Dynamics (Md) Simulations, Nanoscale Interface Phenomena, And Capillary And Hydrophobic Interactions
- High-Performance Computing: Parallel Computing And Hpc Environments; Experience With Linux-Based Systems And Large-Scale Dft Simulations
- Programming & Scripting: Python, Bash
- Visualization & Analysis Tools: Vesta, Avogadro, Xcrysden, Gnuplot, Xmgrace
- Scientific Writing: Latex (Texmaker, Overleaf)
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Education
University of Jyväskylä
PhD in Physics · Physics · Jyväskylä, Finland
University of Jyväskylä
Master's Degree · High Performance Computing – Physics · Jyväskylä, Finland · 4/5
Riphah International University
Master's degree · Physics · Lahore, Pakistan · 3.1/4
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