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🔭 I’m a joint Ph.D. Scholar between IIT Kanpur, India and Curtin University, Australia.
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💬 Research Interest
- Molecular Dynamics, - Computational Biology Physics - CV discovery using neural networks or deep learning - Developement of enhanced sampling methods and Machine learning. - Software developement -
⚡Status of Ph.D.
Submitted the thesis and Joined as Senior Solutions Archetect 1 in Schrodinger. -
🌱 Programming Skills
Fortran, Python, bash/shell, Makefile, Machine Learning, MPI Programming -
🌱 Developer Tools
Git, GitHub, Docker-container, Linux Server administration -
🌱Packages Written (Favourite)
I have written Keys and Rbin packages in Bash/shell"Keys" is a password manager to help a user to store and organize passwords. Keys manages and stores the passwords encrypted and locally, requiring the user to create a master password: a single, strong password which grants the user access to their entire password database. Keys protects the user's data using the AES-256-cbc encryption with salted format.RBIN is a simple and user-friendly package to act as a recycle-bin for Linux. rbin can be a safe alternative for a rm command. Rbin moves the given files to recycle bin and restores them to their original location. It has the flexibility of setup the auto cleanup feature for every 30days. Users can control over auto-clean setting to off or change the period of days to clean etc when required.
- Boosting the Conformational Sampling by Combining Replica Exchange with Solute Tempering and Well-Sliced Metadynamics
- Free energy calculations of alanine tripeptide in explicit water using temperature accelerated sliced sampling
