PhD Researcher · Jadavpur University

Mousom
Roy

Materials scientist bridging nanoscience & computation — synthesizing defect-engineered materials, building open-source characterisation tools, and automating everything in between.

TiO₂
Focus Area
Black Titania
Repos
14 Public
Domain
Nano + IoT
MR
Kolkata, India
MTech · Nanoscience & Technology
BTech · Civil Engineering
AICTE Doctoral Fellow

Scientist &
Systems Builder

I sit at the intersection of materials chemistry and computational engineering. My doctoral work explores defect-engineered titania — particularly black TiO₂ — for photocatalytic remediation of pharmaceutical contaminants, while simultaneously investigating high-entropy perovskites for thermoelectric applications.

"Discovered two new configurational high entropy perovskites exhibiting superior thermoelectric properties."

Alongside lab research, I build the tools that make materials science faster: CLI utilities for XRD analysis, band-gap estimation, pollutant kinetics — all open-source on GitHub. I'm also deeply interested in automated data-acquisition systems, IoT instrumentation, and AI-augmented workflows for scientific research.

🔬 Photocatalytic mitigation of diclofenac & sulfamethoxazole
Automated DAQ systems for thermoelectric property measurements
🌱 Environmental remediation via sol-gel TiO₂/Fe₂O₃ nanocomposites
🖥️ Open-source XRD, band-gap & kinetics analysis tools
Expertise

Technical Skills

From sol-gel synthesis to full-stack automation — a multidisciplinary toolkit built across a decade of research and engineering.

🧪
Materials Science

High-entropy materials, thermoelectric development, environmental remediation catalysts, advanced XRD & UV-Vis characterisation.

TiO₂Fe₂O₃PerovskitesSol-GelXRDTauc Plot
💻
Programming & Software

Scientific computing, data analysis pipelines, desktop and web app development for instrument control and visualisation.

PythonJavaC#C++SQLTypeScript
⚗️
Scientific Computing

Simulation, finite-element analysis, DFT, and advanced data processing for materials property extraction.

MATLABQuantum EspressoCOMSOLOriginPro
🤖
IoT & Automation

Embedded systems for DAQ, sensor interfacing, automated experimental rigs, and AI-augmented data workflows.

ArduinoESP32Raspberry PiML/AILangChain
Open Source

Projects

Tools built for the materials science community — freely available, CLI-first, and designed to make characterisation faster.

crysanalyze Python

CLI tool for rapid preliminary analysis of powder X-ray Diffraction (XRD) data — designed for quick initial screening of synthesised materials.

bandgap_estimator Python

Estimate optical band gap energy from UV-Vis spectroscopy data using the Tauc plot method. Fast, scriptable, reproducible.

hea-prop-predict Python

Rapid approximate estimates for density, lattice parameter, and thermal conductivity of High Entropy Alloys based on elemental composition.

pollutant-degradation-visualizer Python

Streamlit app for fitting and visualising pseudo-first-order kinetic models in photocatalytic degradation studies with real-time plotting.

xrdPhase TypeScript

Web-based application for automated phase identification from XRD data, offering a clean UI for researchers and material scientists.

xrdPlot TypeScript

Next.js + Tailwind web visualisation tool for XRD data — fast, interactive, and built for researchers who need publication-ready plots.

Active Research

Current Focus Areas

Doctoral work spanning environmental nanotechnology, high-entropy materials, and next-generation energy materials.

01
Black Titania & Photocatalysis
Synthesising defect-engineered TiO₂ₓ with enhanced visible-light absorption for pharmaceutical contaminant remediation — targeting diclofenac and sulfamethoxazole via DST-SERB funded work.
DST-SERB Funded
02
High Entropy Perovskites
Exploring configurational entropy as a handle on thermoelectric performance. Discovered two novel perovskite compositions with superior Seebeck coefficients and low thermal conductivity.
Thermoelectrics
03
3-ω Thermal Conductivity
Building a complete SEED-grant funded 3-omega measurement platform using Raspberry Pi and custom DAQ — enabling in-house thin-film thermal characterisation for nanostructured materials.
SEED Grant
04
AI-Augmented Lab Workflows
Building privacy-preserving local RAG systems over scientific literature using Ollama, ChromaDB, and qwen2.5 — enabling semantic search across Obsidian research vaults.
AI + Science
Get In Touch

Let's Connect

Open to Collaboration

I'm interested in collaborations at the intersection of materials characterisation, data science, and sustainable technology. Whether you're working on photocatalysis, thermoelectrics, environmental remediation, or building open tools for science — let's talk.


Currently: PhD, Jadavpur University · AICTE Doctoral Fellow