PhD Scholar · Functional Materials Laboratory

Dhananjay

Fluorescent Materials & Computational Photophysics

I am a PhD scholar at Central University of Kerala, working on the synthesis, characterization, and applications of fluorescent materials. My research focuses on understanding fluorescence mechanisms via computational tools and developing new materials for sensing applications.

02

Publications

06

Conferences

03

Research Areas

Dhananjay

Chasing Light from Molecules

I am a PhD scholar at the Functional Materials Laboratory, Central University of Kerala, working on the synthesis, characterization, and applications of fluorescent materials. What a molecule does with the light it absorbs; where the energy goes, what colour comes back is the question at the centre of my work.

My research combines wet-lab synthesis and optical characterization with computational tools: quantum-chemical calculations to understand fluorescence mechanisms, and machine-learning models to predict optical properties faster than theory alone allows. The goal is new materials for sensing applications, designed with understanding rather than trial and error.

Fluorescent probes Photophysics DFT / TD-DFT Machine learning for chemistry Chemical sensing

Areas of Investigation

Three connected threads: making emissive molecules, understanding their excited states, and learning to predict them.

Fluorescent Probes for Ion Sensing

Small-molecule colorimetric and fluorometric probes that signal specific ions through visible colour changes or emission switching, centred on cyanide detection.

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My work in this area examines how the sensing event alters the electronic structure of the chromophore. Understanding the mechanism charge transfer, nucleophilic addition, or hydrogen-bonding interactions guides the rational design of probes with better selectivity and lower detection limits.

probe (off) + CN⁻ analyte hν′ probe·CN⁻ (on)
Turn-on sensing analyte binding switches the probe's emission on.

Optical Characterization & Photophysics

Steady-state and time-resolved spectroscopy absorption, emission, and lifetimes to build structure–property relationships in emissive systems.

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Combining measurement with electronic-structure calculations helps assign the observed transitions and rationalize trends across families of related chromophores how a material's structure shapes its excited-state behaviour.

absorption emission Stokes shift λ / nm I
Mirror-image absorption and emission bands, separated by the Stokes shift.

Machine Learning for Molecular Photophysics

Data-driven models that predict optical properties of organic chromophores directly from molecular structure, comparing the performance of different ML approaches.

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High-level methods such as TD-DFT are accurate but expensive, which limits how many candidate chromophores can be screened. The goal is a fast pre-screening layer that narrows the candidate space before committing to full quantum-chemical calculations or synthesis.

y = x λ TD-DFT / nm λ ML / nm
Parity plot — ML-predicted vs TD-DFT-computed emission wavelengths.

Academic Background

  1. 2023 — Present

    PhD, Chemistry

    Central University of Kerala · Functional Materials Laboratory

    Research focusing on computational techniques for materials discovery.

    Supervisor: Dr. Ravi Kumar Kanaparthi

  2. 2021 — 2023

    M.Sc., Chemistry (Theoretical and Computational Chemistry)

    Central University of Punjab

    Dissertation topic: Engineering the Properties of TiSeS Janus Monolayer Using Strain and Electric Field.

    Supervisor: Prof. Jagdish Kumar

  3. 2017 — 2020

    B.Sc., Chemistry (Physical Sciences with Chemistry)

    University of Delhi

Journal Articles & Reviews

01

Unravelling Cyanide Sensing Mechanisms of Colorimetric and Fluorometric Sensors

Gummadi Leela Prabha Anisha; Rayudu Surya Sekhar Babu; Dhananjay, Dr Ravi Kumar Kanaparthi* | NSRP-2025, Vol 37 / 1&2 Page 63-69 Conference review (2025)

Read the article ↗
02

Green hydrogen: The fuel of tomorrow or a challenge of today?

Gummadi Leela Prabha Anisha, Rayudu Surya Shekhar Babu, Dhananjay, Sudeena Nadendla, Shashidhar Kasthala, Ravi Kumar Kanaparthi. Next Energy, Volume 11, 2026, 100524, ISSN 2949-821X

Read the article ↗

Academic Engagements

Talks

Invited talks and oral presentations will be listed here soon.

Posters

January 2026

18th DAE-BRNS Biennial Trombay Symposium on Radiation and Photochemistry (TSRP-2026)

Bhabha Atomic Research Centre, Mumbai · January 6th to 10th, 2026

Poster: "Data Driven Prediction of Optical Properties of Organic Chromophores: A Comparative Study of Different ML Models".

Poster Presentation

January 2025

National Symposium on Radiation and Photochemistry (NSRP-2025)

National Institute of Science Education and Research (NISER), Bhubaneshwar · January 23rd to 25th, 2025

Poster: "Theoretical Exploration of Two-Dimensional Materials for Optical and Electrical Properties".

Poster Presentation

Participation

December 2025

Indian Council of Chemists 44th Annual National Conference

KLE Technological University, Hubballi · December 22nd to 24th, 2025

Participant

August 2024

International Symposium — Current Trends in Advanced Materials (CTAM-24)

VIT-AP University, Amaravati, with the American Chemical Society · August 26th to 31st, 2024

Certificate ↗ Participant

August 2024

Chemistry: Global Trends and Future Directions (CGTFD-2024)

Virtual International Conference · Madanapalle Institute of Technology & Science · August 5th to 7th, 2024

Certificate ↗ Participant

February 2024

Theory and Applications of In-Silico Approach for Materials Modelling

Central University of Punjab, Bathinda · February 5th to 11th, 2024

Participant

Instruments & Methods

Spectroscopy & Characterization

  • UV–Vis absorption
  • Steady-state fluorescence
  • Lifetime fluorescence (TCSPC)
  • FTIR
  • NMR

Computational

  • DFT / TD-DFT
  • Machine learning
  • Python
  • VIM
  • Bash

Synthesis

  • Organic chromophore synthesis
  • Purification & chromatography

Notes & Updates

I write at Substack — notes on fluorescence, chemistry, and research life.

The Jablonski Series — Three Ways a Molecule Glows

Fluorescence — prompt emission from S₁
Phosphorescence — slow emission from the triplet T₁
TADF — heat drives T₁ back to S₁ for delayed emission

What I'm Reading

Currently Reading

Cover of American Prometheus

Kai Bird & Martin J. Sherwin

American Prometheus

The life of J. Robert Oppenheimer.

30% 30% through

Cover of The Periodic Table

Primo Levi

The Periodic Table

A chemist's life told one element at a time.

0% Just started

Read

Cover of The Sky Warriors

Vishnu Som

The Sky Warriors

An account of Operation Sindoor that goes past what the media reported, and takes the trouble to explain the technology the operation actually ran on.

Finished 2026
Cover of Brief Answers to the Big Questions

Prof. Stephen Hawking

Brief Answers to the Big Questions

Enormous questions handled in plain language, that even a layman can understand.

Finished 2025
Cover of The Kite Runner

Khaled Hosseini

The Kite Runner

"For you, a thousand times over."

Finished 2021

Let's Connect

Collaborations, questions, or a simple hello — I welcome discussions on fluorescent materials, photophysics, and machine learning for chemistry.

Laboratory

Functional Materials Laboratory
Central University of Kerala
Kasaragod, Kerala

Academic Profile

ORCID 0009-0006-6532-3726