Hi, my name is
Manish Chandra.
I do research on Material Science.
Chemistry researcher with hands-on experience in DFT-based electronic structure analysis, QM/MM simulations, and metal-organic framework characterization, supported by a strong computational and programming background.
About Me
Hello! I'm Manish Chandra, a chemistry researcher passionate about computational materials science and molecular dynamics. I specialize in theoretical and computational chemistry, leveraging advanced computational tools to understand and predict the behavior of complex molecular systems.
My research focuses on material characterization through both experimental and computational methods. I've worked extensively with density functional theory (DFT), quantum mechanics/molecular mechanics (QM/MM) simulations, and high-performance computing environments. Currently, I'm exploring the fascinating world of metal-organic frameworks and their applications in materials science.
Beyond research, I'm also interested in developing software solutions that bridge chemistry and technology. I combine my strong computational chemistry background with programming expertise to create innovative tools for scientific research and discovery.
Here are a few technologies I've been working with recently:
- DFT
- QM/MM
- Quantum Espresso
- TD-DFT
- CP2K
- Python
- Java
- Kotlin
- JavaScript
- Dart
- Linux
- Git
- Bash
- HPC
- MPI
Research Experience
Research Intern
Dr. Krishna Kishore Inampudi
All India Institute of Medical Sciences (AIIMS)
June 2026 - present
- Performing QM/MM simulations to characterize enzyme–substrate interactions and compute free energy profiles using CP2K.
Education
Master of Science in Chemistry @ Jawaharlal Nehru University
2024 - 2026
- Spectroscopic Analysis, Inorganic Synthesis, Computational Chemistry
- Crystallography, Quantum Chemistry
Projects
ML-bace1-inhibitors
A computational drug discovery pipeline integrating structure-based molecular docking with data-driven machine learning (ML) rescoring for BACE1 inhibitors.
Eyebro
AI-Powered Visual Accessibility for a Smarter Campus - An innovative application bringing advanced accessibility features to campus environments.
Wallet
An app to save and retrieve cards securely and beautifully. A mobile application built with Flutter for managing payment cards with elegant UI and secure storage.
BlogLite
Capstone Project for AppDev I - A lightweight blogging platform built with Python and Flask for creating and managing blog posts with ease.
Calypso
A flash card based memorising tool for effective learning and retention through spaced repetition and interactive study sessions.
TicketShow
Capstone Project for MAD-II - A comprehensive ticket booking application with Python backend and Vue.js frontend for seamless event ticket management and purchasing.
What’s Next?
Get In Touch
My inbox is always open. Whether you have a new project, research problem, want to do collaboration or just want to say hi, I’ll try my best to get back to you!
Say Hello