2026
- 03 Jul Post-Processing and Structural Analysis Pipeline for GROMACS MD Trajectories
- 03 Jul COM-COM Distance Analysis with PBC Correction for Dual-Cluster MD Systems
- 03 Jul Cluster-Size Distribution Analysis for Metal Nanoclusters Using MDAnalysis and SciPy
- 03 Jul VMD Batch Snapshot Rendering for Publication Figures: The capture_frames.tcl Workflow
- 03 Jul GROMACS 2026.2 with GPU Acceleration on Fedora 41: What Actually Works
- 03 Jul OPC Water in GROMACS: Fixing the MW Virtual Site Topology
- 03 Jul Fixing Rigid Pd Cluster Topologies in GROMACS: Replacing Constraints with Stiff Bonds
- 20 Jun Setting Up a Pd₄ Nanocluster in OPC Water for GROMACS MD Simulation
- 20 Jun Setting Up a Pd₃ Nanocluster in OPC Water for GROMACS MD Simulation
- 20 Jun Setting Up Pd Nanocluster MD Simulations: What Actually Worked
- 20 Jun Two Pd₃ Nanoclusters in OPC Water — Diagonal Placement and GROMACS Setup
- 18 Jun GROMACS Equilibration and Production Protocol for Solvated Nanoclusters
- 17 Jun Building pd4.ff — A Force Field File for the Pd₄ Cluster in fftool
- 17 Jun Building pd3.ff — A Force Field File for the Pd₃ Cluster in fftool
- 17 Jun Running a Pd3 Cluster in OPC Water: A Complete LAMMPS Simulation Guide
2023
- 14 Oct M.Tech Thesis CH
- 02 Apr Installing GPU Driver
- 22 Mar Accessing HPC
- 09 Mar Simulation of C atoms in LAMMPS
- 06 Mar IOT Project Wifi Temp Sensor
- 06 Mar Post Processing of the thermodynamics data using python code
- 04 Mar Generating Data file for LAMMPS
- 04 Mar Videos and Graphs
- 04 Mar Prerequisite
- 04 Mar Writing Input script for LAMMPS