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durjoysarkardhrubo/README.md

As a passionate undergraduate researcher and problem solver, I specialise in 1D/2D materials, polymer nanocomposites, high-entropy alloys, and battery materials, using the MD simulaton with over two years of experience. I am exceptionally proficient at using various kinds of molecular and crystal-building software to create crystalline and amorphous molecular systems, such as LUNAR, VESTA, OVITO, ATOMSK, VMD plugin Topotools, Avogadro, ChemDraw, and Chemcraft. I am also an expert in post-processing analysis using tools Python and Phana (phonon analyser tools from MD), and I am well-versed in the DFT simulators Quantum Espresso and ORCA, as well as the MD simulator LAMMPS. Additionally, I have experience with BURAI, Materials Studio, Advanced Nanolabo & Virtual NanoLab (VNL).

My academic contributions include publishing 1 International journal paper and replicating at least 32 high-impact journals using MD and DFT. I have been a passionate problem solver since childhood, having participated in and won prestigious prizes in national and international math competitions such as NUMO, BDMO, IGO, and APMO.

If your research project requirements or collaborative opportunities align with my research skills, please don't hesitate to reach out. I am eager to contribute and collaborate!

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  1. Machine-Learning-Optimization-Technique-Bayesian-Optimization-for-Thermal-Conductivity-of-Nanotubes Machine-Learning-Optimization-Technique-Bayesian-Optimization-for-Thermal-Conductivity-of-Nanotubes Public

    This repository implements Bayesian Optimization using Gaussian Process Regression to predict the inner diameter of nanotubes for maximum and minimum thermal conductivity based on experimental data…

    Python

  2. 2D_vdWs_Heterostructures_Generator 2D_vdWs_Heterostructures_Generator Public

    This GitHub repository contains scripts to generate 2D heterostructure supercells of graphene on SiC. The scripts allow user-defined supercell dimensions, SiC sheet height, and interlayer distance.…

    Python 1

  3. Carbon-Nanotube-Properties-Calculator Carbon-Nanotube-Properties-Calculator Public

    A Python script to calculate properties of single-walled carbon nanotubes (SWCNTs) using chiral indices, including radius, chiral angle, chirality type, translational repeat unit, and Brillouin zon…

    Python 2

  4. CNT-BNNT CNT-BNNT Public

    Thermal conductivity measurement of CNT_BNNT heterostructure using NEMD technique with LAMMPS

    Python

  5. map.in-file-for-LAMMPS-Phonon-Dispersion map.in-file-for-LAMMPS-Phonon-Dispersion Public

    This repository contains the code to generate the map.in file essential for computing the phonon dispersion relation using the fix phonon command in LAMMPS. The map.in file maps atom IDs to lattice…

    Python 2