My research uses density functional theory to predict the electronic properties of dilute bismide III–V alloys and strained transition-metal dichalcogenide monolayers, targeting mid-infrared, valleytronic, and topological applications.
I earned my PhD in Physics from the University of Delaware (2026), advised by Prof. Anderson Janotti.
My research uses first-principles density functional theory (DFT) to predict the electronic properties of novel semiconductor alloys and heterostructures for mid-infrared and valleytronic applications. I also build open-source Python tools for interactive DFT workflows in Jupyter.
I am currently seeking postdoctoral opportunities in computational materials science: scalable simulation, high-throughput workflows, and reproducible research pipelines.
Peer-reviewed articles and software publications from my research on III–V semiconductor alloys, epitaxial strain engineering, and scientific computing tools.
Abdul Saboor, S. Khalid, A. Janotti
HSE06 hybrid functional calculations showing that Bi incorporation shifts both band edges in III–V semiconductors, contradicting the VBAC model, and predicting topological insulator phases in InAs/InSb at ~10% Bi.
I. Evangelista*, A. Saboor*, M. Zubair, I. Chatratin, R. Hu, D. Q. Ho, S. Khalid, I. Fampiou, A. Janotti (* co-first authors)
Comprehensive first-principles study revisiting uniaxial and biaxial strain effects across monolayer TMDs with hybrid functionals and full spin-orbit coupling on properly distorted Brillouin zones.
S. Nair, Y. Yuan, A. Saboor, D. G. Schlom, D. A. Muller
Epitaxial strain controls whether Ir/Ru thin films remain metallic or oxidize to IrO₂. DFT calculations of the strain-dependent formation enthalpy reproduce the observed phase boundary.
Active projects spanning dilute bismide alloys, strained 2D materials, and rare-earth nanoparticle-embedded THz devices.
A. Saboor et al.
I. Evangelista*, A. Saboor* et al. (* co-first authors)
A. Saboor et al.
R. Hu, W. Acuna, A. Saboor et al.
Python tools for interactive scientific computing in Jupyter, with a focus on computational materials science workflows.
DFT pre- & post-processing
Interactive VASP workflow for Jupyter Lab: 3D Brillouin zone visualization with k-path selection by clicking, crystal structure manipulation, band structure and charge density analysis.
Interactive presentations · ★ 18
Presentation framework where every figure and widget stays live. Supports Markdown, LaTeX, Plotly/Matplotlib, frame animations, speaker notes, and HTML/PDF export.
Dissertation: Electronic structure of dilute bismide III–V alloys and strained TMD monolayers using hybrid DFT. Advisor: A. Janotti.
Physics for Engineers I & II (PHYS207/208), Optics & Modern Physics (PHYS345), and Advanced Quantum Mechanics. Led recitations, supervised labs, graded problem sets.
The computational framework underlying my research, from the quantum mechanical foundations to the practical workflow.
HSE06 screened hybrid functional for accurate band gaps and spin-orbit coupling. PAW potentials with semicore states. 64-atom supercells for alloy modeling.
Vienna Ab initio Simulation Package on NERSC and DARWIN (University of Delaware) computing clusters. Workflow automation with Python and ipyvasp.
Superlattice alignment along nonpolar (110) direction, averaged over inequivalent configurations. Enables heterostructure design for quantum well devices.
| Project | Method | Key Result | Status |
|---|---|---|---|
| Bismide III–V Alloys | HSE06 + SOC | Both band edges shift; topological phases at ~10% Bi | Published (2026) |
| Epitaxial Strain | PBE+U | Strain selects metallic vs oxide phase | Published (2023) |
| Quaternary Bismides | HSE06 + SOC | InP-matched band engineering | Ready for submission |
| Uniaxial TMDs | HSEα + SOC | Valley drift on distorted BZ | Under review (2026) |
| WSe₂ Valley Drift | HSEα + SOC | Differential K/K′ shift; quasi-indirect gap | In preparation |
| RE-V THz Devices | DFT + interface | ErAs/LuBi nanoparticle band alignment | In preparation |
Conference presentations, workshops, and scientific community events.
Duke University, NC
Presented: “Electronic properties of InAlAs and InGaAs alloys containing a few percent of Bi”
Temple University, Philadelphia, PA
Pittsburgh, PA
Minneapolis, MN
Presented by advisor: “Electronic properties of InAlAs and InGaAs alloys containing a few percent of Bi”
Las Vegas, NV
Presented: “Electronic structure and band alignment of dilute III–V₁₋ₓBiₓ alloys” (university-funded)
Temple University, Philadelphia, PA