Soumyashree Das Adhikari

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173 videos

Welcome Computational Physicist! This channel is your go-to destination for mastering computational tools like VASP, VESTA, VMD, Gaussian, and Inkscape along...

Latest Videos

Save Skeletal Molecular Structures Easily MolView & Ketcher Tutorial

Gaussian Tutorial (Lec-13) Spin Density Plotting in Gaussian Generate & Visualize Cube Files

Fortran Programs Tutorial - 26 Random Numbers in Fortran Box-Muller Transformation

Fortran Programs Tutorial - 25 Random Numbers in Fortran Uniform Probability Distribution

Fortran Programs Tutorial - 24 Random Numbers in Fortran Checking the Datasets for Randomness

Fortran Programs Tutorial - 23 Random Numbers in Fortran Mean, Standard Deviation, & Correlation

Fortran Programs Tutorial - 22 Random Numbers in Fortran

Gaussian Tutorial (Lec-12) H-F Bond Scan in Gaussian

Fortran Programs Tutorial - 21 Least Squares Method for Exponential Fit

Fortran Programs Tutorial - 20 Least Squares Fitting for a Straight Line

VESTA Tutorial - 25 PbTiO₃ Perovskite Surface Terminations (PbO vs TiO₂)

Create Molecular Complex in GaussView Copy, Append & Align Molecules (Lec - 11)

Energy Minimization in LAMMPS SD vs CG Explained Clearly

FFTool to LAMMPS Understanding pair_style and Mixing Rules

Packing Charged Molecules and Generating LAMMPS Input Files

Methods for AIMD Simulations Using Hybrid DFT Functionals Talk by Prof. Nisanth Nair, IIT Kanpur

Enabling large-scale first principles simulations with DFT-FE Talk by Prof. G. P. Das (TCG Crest)

DFT-FE for material modeling in the exascale era Talk by Prof. Phani Motamarri (IISc)

Best Databases to Download Crystal & Molecular Structures

Understanding LAMMPS Data File Complete Explanation of File Structure

The Schrödinger Equation Video 1

VESTA Tutorial - 24 Atomic Doping in VESTA

Creating MD Input Files Using fftool (LAMMPS, GROMACS, OpenMM, DL_POLY)

Molecular Packing using fftool for MD Simulations

Force Field Generation Using LigParGen

LigParGen Tutorial for Beginners

Introduction to Density Functional Theory (DFT) Video 0

VASP Tutorial - 16 Variable Cell NEB (VC-NEB) Calculation Using VASP

VASP Tutorial - 15 COHP Calculation Using VASP and LOBSTER

VESTA Tutorial - 23 Packing Multiple Molecules in a Simulation Box Using VESTA