Amal Kishore

Postdoctoral Researcher

Indian Institute of Science (IISc), Bangalore

About Me

I am a postdoctoral researcher at the Indian Institute of Science (IISc), Bangalore, with a strong background in computational physics. My research primarily focuses on the theoretical modeling of two-dimensional semiconductors for applications in photocatalytic water splitting and excitonic solar cells, employing methods such as DFT, DFPT, and GW+BSE. Currently, I am expanding my expertise in scientific code development.

Contact

Email: amalk4905@gmail.com

Phone: (+91) 8287599183

GitHub | Google Scholar

Education

  • Post-doctoral training - Indian Institute of Science (IISc), Bengaluru (Dec 2024 - Present)
  • Ph.D. in Physics - Institute of Nano Science and Technology, Mohali (Jan 2020 - Feb 2025)
  • M.Sc. in Physics - National Institute of Technology, Durgapur (2016 - 2018, CGPA: 7.98)
  • B.Sc. in Physics - University of Delhi (2013 - 2016, 71%)

Research

Research Overview

My research focuses on the theoretical modeling and computational investigation of two-dimensional (2D) materials for next-generation energy applications. I employ advanced quantum mechanical methods to understand and predict the electronic, optical, and excitonic properties of novel 2D semiconductors.

The primary goal of my work is to design efficient materials for photocatalytic water splitting and excitonic solar cells through first-principles calculations and many-body perturbation theory.

Exciton Research Illustration

Exciton dynamics in 2D materials

Research Areas

2D Materials & Semiconductors

Theoretical modeling of novel two-dimensional semiconductors including metal tellurohalides, transition metal dichalcogenides, and Xenes for optoelectronic applications.

Photocatalytic Water Splitting

Investigation of excitonic effects and charge carrier dynamics in 2D materials to enhance photocatalytic efficiency for hydrogen production and overall water splitting.

Excitonic Solar Cells

Design and optimization of 2D materials with controlled interlayer excitons for efficient excitonic solar cell applications with enhanced light harvesting.

Computational Methods

Development and application of advanced computational techniques including DFT, DFPT, and many-body perturbation theory for accurate prediction of material properties.

Code Development & Open Source

I am actively involved in developing scientific codes and contributing to open-source projects in computational materials science.

View My GitHub Repositories
GitHub Repository

Open source contributions

Technical Expertise

Programming & Analysis

  • Python (Pandas, NumPy, SciPy, Matplotlib)
  • Machine Learning (Scikit-learn, TensorFlow)
  • Data visualization and analysis
  • PDE & Finite-difference techniques

Electronic Structure Codes

  • VASP (Vienna Ab initio Simulation Package)
  • Quantum Espresso
  • YAMBO (Many-body calculations)
  • BerkeleyGW (GW/BSE calculations)

Theoretical Methods

  • Density Functional Theory (DFT)
  • Density Functional Perturbation Theory (DFPT)
  • Many-body perturbation theory (MBPT)
    • GW approximation
    • Bethe-Salpeter Equation (BSE)

Publications

2025

  • 10. Saini, J., Raturi, M., Kaur, M., Neeshu, K., Maharana, A. K., Dash, T., Kishore, A., Tyagi, H., Rani, R., Kundu, A., De Sarkar, A., Hazra, K. S. (2025). "Room Temperature Bolometric Response in Nitro-Boosted rGO." Langmuir, 41(8), 5634-5646. DOI
  • 9. Kishore, A., Seksaria, H., De Sarkar, A. (2025). "Spatial Control of Interlayer Excitons in 2D Metal Tellurohalides for Efficient Excitonic Solar Cells: Probing Excited States under External Perturbations." J. Phys. Chem. C, 129(9), 4589-4596. DOI
  • 8. Kishore, A., Seksaria, H., De Sarkar, A. (2025). "Physical Origin and Control of Exciton Spatial Localization in High-κ MOene Monolayers Under External Perturbations." J. Phys.: Condens. Matter, 37, 115703. DOI

2024

  • 7. Seksaria, H., Kishore, A., De Sarkar, A. (2024). "Temperature-Driven Journey of Dark Excitons to Efficient Photocatalytic Water Splitting in β-AsP." Physical Chemistry Chemical Physics.
  • 6. Seksaria, H., Kishore, A., De Sarkar, A. (2024). "Probing 2D Exciton Dynamics of Non-Hydrogenic Anisotropic Rydberg Spectra in Anomalous Screening Regime." The Journal of Physical Chemistry C, 128(15), 6487-6495.
  • 5. Kishore, A., Seksaria, H., De Sarkar, A. (2024). "Dielectric Screening and Magnetic Force Modulated Spontaneous Exciton Dissociation for Enhanced Photocatalytic Water Splitting: Insights into Exciton Excited States." The Journal of Physical Chemistry C, 128(24), 10225-10234.

2023

  • 4. Kishore, A., Seksaria, H., Arora, A., De Sarkar, A. (2023). "Regulating Excitonic Effects in Non-Oxide Based XPSe3 (X = Cd, Zn) Monolayers towards Enhanced Photocatalysis for Overall Water Splitting." Physical Chemistry Chemical Physics, 25(30), 20337-20349.
  • 3. Kishore, A., Tripathy, N., De Sarkar, A. (2023). "Unconventional Anisotropy in Excitonic Properties and Carrier Mobility in Iodine-Based XTeI (X = Ga, In) Monolayers for Visible-Light Photocatalytic Water Splitting." The Journal of Physical Chemistry C, 127(4), 1992-2002.

2021

  • 2. Mohanta, M. K., IS, F., Kishore, A., De Sarkar, A. (2021). "Spin-Current Modulation in Hexagonal Buckled ZnTe and CdTe Monolayers for Self-Powered Flexible-Piezo-Spintronic Devices." ACS Applied Materials & Interfaces, 13(34), 40872-40879.

2020

  • 1. Mohanta, M. K., Kishore, A., De Sarkar, A. (2020). "Two-Dimensional Ultrathin van Der Waals Heterostructures of Indium Selenide and Boron Monophosphide for Superfast Nanoelectronics, Excitonic Solar Cells, and Digital Data Storage Devices." Nanotechnology, 31(49), 495208.

For a complete list of publications and citations, please visit my Google Scholar profile.

Academic Activities

Conference Presentations

  • Invited Talk - 2nd Bilateral Meet on Innovations in Materials for Energy and Environmental Technologies (i-MEET), June 2023
  • Oral Presentation - International Conference on Catalysis for Clean Energy Technologies and Sustainable Development, April 2024
  • Best Poster Award - Research Scholar Day, INST, May 2023
  • Poster Presentation - 34th Annual General Meeting of MRSI at IIT (BHU), Varanasi, December 2023
  • Poster Presentation - International Workshop on Materials and Devices for Post-CMOS Computing, October 2024

Leadership & Service

  • Core Organizing Team - CRYSTAL Workshop – DFT Modelling in Nanoscience, INST Mohali (Feb 2023)
  • Project Management & Team Lead - FALAK Educational Outreach Program, INST Mohali (Nov 2022 - Nov 2023)
  • Technical Volunteer - International Workshop on Materials and Devices for Post-CMOS Computing (Oct 2024)

Awards & Achievements

  • National Eligibility Test (NET) Qualified - Lectureship with rank 100 (2019)
  • Graduate Aptitude Test in Engineering (GATE) Qualified in Physics (2018)
  • Certificate of Appreciation - FALAK Educational Outreach Program

Teaching Experience

  • Guest Lecturer - Doranda College, Ranchi University (Jan - June 2019)
  • Project Fellow - Institute of Nano Science and Technology, Mohali (Sep - Dec 2019)