Waqas Zulfiqar

Postdoctoral Researcher in theoretical condensed matter physics

Research Expertise

Condensed Matter Physics
Physical Chemistry
Renewable Energy
Light-Matter Interactions
Environmental Engineering
Environmental Chemistry
Pollution
Materials Chemistry
Atomic and Molecular Physics, and Optics
Electrical and Electronic Engineering
Physical and Theoretical Chemistry
Mechanical Engineering
Mechanics of Materials
Metals and Alloys
Energy Engineering and Power Technology
Fuel Technology
Renewable Energy, Sustainability and the Environment
Electronic, Optical and Magnetic Materials

About

Adept in performing atomistic simulations, specializing in the realm of light-matter interactions. Proficiently model and analyze the dynamic interplay between light and matter, spanning diverse applications. Skillfully leverage computational techniques to unravel the complexities of these interactions, contributing to advancements in various scientific and technological domains i.e., hydrogen production, solar cell, photocatalytic water purification and electrochromic devices.

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Publications

Pb2+ ions mobility perturbation by iron particles during electrokinetic remediation of contaminated soil
Chemosphere
2017
Revisiting the structural, electronic and photocatalytic properties of Ti and Zr based perovskites with meta-GGA functionals of DFT
Journal of Materials Chemistry C
2021
Investigation of structural, electronic and optical properties of (V+P)-doped BaZrO3 for photocatalytic applications using density functional theory
Journal of Physics and Chemistry of Solids
2020
Structure inversion asymmetry enhanced electronic structure and electrical transport in 2D A3SnO (A = Ca, Sr, and Ba) anti-perovskite monolayers
Nano Research
2022
Accurate first-principles evaluation of structural, electronic, optical and photocatalytic properties of BaHfO3 and SrHfO3 perovskites
Journal of Alloys and Compounds
2022
Oxygen-vacancy-induced magnetism in anti-perovskite topological Dirac semimetal Ba3SnO
Physical Chemistry Chemical Physics
2021
Improved thermodynamic stability and visible light absorption in Zr+X codoped (X = S, Se and Te) BaTiO3 photocatalysts: A first-principles study
Materials Today Communications
2022
Stabilizing the dopability of chalcogens in BaZrO3 through TiZr co-doping and its impact on the opto-electronic and photocatalytic properties: A meta-GGA level DFT study
International Journal of Hydrogen Energy
2024
Elucidating the Surface Properties of Sr3PbO Inverse‐Perovskite Topological Insulator: A First‐Principles Study
physica status solidi (b)
2023
Electroosmotic Flow in Porous Media
SpringerReference
Cation and Anion Electro-Migration during ElectroKinetic Treatment for Nickel Chloride Contaminated Soil
International Journal of Environmental Sciences & Natural Resources
2017

Education

Government College University, Faisalabad

Ph.D, Theoretical Condensed Matter Physics / February, 2023

Faisalabad

Experience

University of Namur, Belgium

Postdoctoral Researcher / February, 2023Present

Computational materials modeling of 3D, 2D and 1D materials

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