I study quantum materials with computation.
I am a research scholar in Condensed Matter Physics at Harish-Chandra Research Institute. My work explores topological properties, defects and energy-relevant functionalities in perovskites, oxides and MXene–halide perovskite heterostructures using first-principles DFT and related computational tools.
About
I am pursuing my Ph.D. in Physics at Harish-Chandra Research Institute, Prayagraj, focusing on topological properties and defect physics in condensed matter systems. My research combines density functional theory, lattice dynamics and band-structure engineering with a special emphasis on materials relevant to renewable energy and catalysis.
Before HRI, I completed my M.Sc. in Physics at Ravenshaw University (Cuttack, Odisha) and B.Sc. in Physics at Bhadrak Autonomous College, where I built a foundation in computational methods and theoretical physics. :contentReference[oaicite:1]{index=1}
I enjoy working at the intersection of fundamental physics, materials design and data-driven modelling, and I’m also curious about deploying quantitative tools in finance and technology.
- Halide perovskites: composition-space exploration of lead-free divalent and tetravalent halide perovskites for stable optoelectronic applications.
- Electrocatalytic interfaces: diffusion-mediated morphological transformations in bifunctional oxide–phosphate systems for enhanced water splitting.
- Heterostructures: temperature and electric-field tuning of interfacial charge transfer and band edge alignment in MXene–halide perovskite systems.
- Oxide double perovskites: local symmetry, octahedral distortions, phonon mode softening and band inversion under pressure.
Research & Code
- Lead-free halide perovskites: critical review of composition space and design principles for divalent and tetravalent perovskites suitable for optoelectronics.
- Cu2NiSnS4/CdS photocathodes: integrating computational lattice mismatch predictions with nanoparticle fabrication for efficient photo-electrochemical hydrogen evolution.
- MXene–perovskite heterostructures: tuning interfacial band offsets and charge transfer using temperature and external electric fields.
- Pressure-tuned oxide double perovskites: tracking local symmetry breaking, phonon softening and band inversion towards topological phases.
You can map each of these to a GitHub repository with input files, analysis scripts and plotting notebooks.
- perovskite-composition-scan – VASP/Quantum ESPRESSO inputs, convergence tests and scripts exploring stability and band gaps across composition space.
- mxene-perovskite-heterostructure – interface construction, band alignment workflow and electric-field dependent band-structure plotting.
- oxide-perovskite-pressure – Phonon & band-structure calculations under pressure with automated post-processing.
- pec-water-splitting-models – data and models linking morphology, band edges and catalytic performance for water splitting.
Publications
- Tuning Composition Space in Lead-Free Divalent and Tetravalent Halide Perovskites: A Critical Review (Invited Article)
- Diffusion-Mediated Morphological Transformation in Bifunctional Mn2O3/CuO–(VO)3(PO4)2·6H2O for Enhanced Electrochemical Water Splitting
- Fabrication of Cu2NiSnS4 Nanoparticles on CdS with a Computationally Predicted Low Lattice Mismatch for Photo-Electrochemical Hydrogen Evolution
- Effect of Temperature and Electric Field on Interfacial Charge Transfer and Band Edge Alignment in MXene-Halide Perovskite Heterostructure
- Local Symmetry Driven Octahedral Distortions, Phonon Mode Softening and Band Inversion in Pressure Tuned Oxide Double Perovskite
Experience & Education
- Computational studies of perovskite-based materials using DFT.
- Publication of research outcomes in peer-reviewed journals.
- Helped design and set up lab experiments for graduate courses.
- Supported computational problem-solving and tutorials.
- Developed course material and evaluated assignments.
- Gained hands-on experience with experimental techniques.
- Tutored undergraduate and graduate physics students.
- Provided academic mentorship and problem-solving guidance.
- Research: computational studies of topological properties and defects in condensed matter systems.
- Thesis: A reading project on Plasma Physics.
- Project: Computational methods in Physics.
Skills & Achievements
- Qualified JEST Physics in 2018 with AIR 178.
- Qualified GATE Physics in 2019 with AIR 851.
- Certifications: Introduction to Quantum Computing (The Code School, Qubit by Qubit & IBM).
- PennyLane Quantum ML Challenge (Womanium Global Quantum + AI Program 2024).
- Extra-curricular: sports (HRI cricket & football) and music (lead singer at Ravenshaw University 150th Anniversary).
- iSNIOE2-2024 International Conference on Sustainable Nanomaterial Integration and Organization for Energy and Environment, ShivNadar University, India; March 2024
- MRM2023/IUMRS-2023 Materials Innovation for Sustainable Development Goals Materials Research Society of Japan (MRS-J), Kyoto, Japan; December 2023
- CARE-2023 International conference on recent advances in renewable energy, Harish-Chandra Research Institute, India; February 2023
- EESTER-2023 International conference on Evolution of Electronic Structure Theory and Experimental Realization, SRM University and IIT Madras, India; January 2023
- ACS Best Poster Award, iSNIOE2 Conference, Shiv Nadar University, 2024.
- International Travel Grant, ANRF (Formerly SERB), MRM2023/IUMRS-2023, Kyoto, Japan.
Contact & Links
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Email
arijeetsarangi@hri.res.in -
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Phone
+91 82491 08335 -
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GitHub
github.com/phygrad -
LinkedIn
linkedin.com/in/Arijeet Sarangi
If you'd like to connect, feel free to send a brief email with:
- Who you are and where you're writing from.
- Which topic or publication of mine you’re interested in.
- Any specific question, collaboration idea or opportunity.
I'm especially keen to discuss problems at the interface of quantum materials, topology, and energy technologies. I’m open to cross-disciplinary conversations involving computation, ML and quantitative methods.