Software & Programming Language

Molecular Dynamics Simulation Tools

• LAMMPS (Highly Proficient)

     Familiar with Accelerator packages in LAMMPS: GPU and USER-OMP packages, etc., and optimizing their number of   

    MPI tasks/thread or per CPU. Running MD simulations with a wide variety of potentials such as ReaxFF, MEAM, Tersoff, 

   EAM, Lennard-Jones, etc.

• Atomsk (Highly Proficient)

        Utilized Atomsk to create initial crystal structure of 2D hexagonal boron nitride (hBN) monolayer, stanene (Sn) 

       monolayer, and 2D Sn/hBN bilayers for my research projects. 

• OVITO (Highly Proficient)

        Utilized to visualize molecular simulations in my research projects, and employed it for post-processing tasks such as 

        Spatial density distribution, Mean square displacement (MSD) calculation, Radial distribution function (RDF) analysis, 

       Local stress calculation, and molecular trajectory visualization. 

• NAMD (Basic Proficiency)

       Acquired skills in creating amino acid structures, generating their potential files, solvating the molecules in water, and 

      calculating the basic properties of the system through hands-on training in a workshop held at BUET.

• VMD (Basic Proficiency)

      Utilized VMD (Visual Molecular Dynamics) software to visualize amino acid movement in water and calculate the 

      Potential energy (pe) of the entire system.   

Finite Element Analysis Tools

• COMSOL Multiphysics (Moderately Proficient)

 Skilled in COMSOL Multiphysics 3.5a for simulating velocity and temperature profiles in forced convection heat transfer inside a circular hollow pipe when Reynolds number Re>2300 in isoflux boundary condition. Experienced in analyzing Nusselt number (Nu) trends to optimize internal heat transfer designs.

• ANSYS FLUENT (Basic proficiency)

   Proficient in ANSYS, with the ability to run simulations by creating simulation domains, applying boundary conditions, 

 and solving the Navier-Stokes equations to generate detailed flow physics, including velocity and pressure fields.

Basic Programming Languages

• MATLAB (Highly Proficient)

 All the post-processing in my undergraduate thesis is done using MATLAB. Proficient in MATLAB for plotting, handling large data files, and solving ordinary and partial differential equations using the Finite Difference Method and MATLAB's PDE Toolbox. Experienced in developing numerical solutions, including Gauss-Jordan, Gaussian Elimination, Bisection Method, False Position Method, and Numerical Integration (Trapezoidal, Simpson).

• Python (Highly Proficient)

    All the post-processing in my postgraduate thesis is done using Python. Developed two Python codes from scratch to 

   calculate interfacial thermal resistance (ITR) and in-plane thermal conductivity of a 2D bilayer from data obtained from            Molecular Dynamics (MD) Simulation.

Machine Learning, Deep Learning, and Big Data Analysis

• Machine Learning (ML) & Artificial Neural Network (ANN) (Highly Proficient)

Generated 1,000 datasets of interfacial thermal resistance between two layers using high-throughput molecular dynamics

 simulations and applied multiple machine learning models—including Linear Regression, KNN, Decision Tree, Random 

Forest, and Support Vector Machine—to identify the most accurate model for my data.

• Big Data Analysis (Highly Proficient)

Performed data cleaning and transformation on a dataset of 1,000 data points related to the thermo-hydraulic 

performance of porous metal foam heatsinks, sourced from GitHub and generated using ANSYS FLUENT. Applied 

normalization and scaling, engineered features, and conducted statistical analysis to identify key trends and correlations. 

Finally, trained various machine learning models to determine which model best fits the data and provides optimal 

predictive performance. 

 Computer-Aided Design (CAD) Software

• SolidWorks (Moderately Proficient)

Designed a shell and tube heat exchanger in SolidWorks, including components such as baffles, tube bundle, tube sheet,

 shell, and nozzles, and successfully assembled all parts within the software. 

• AutoCAD (Moderately Proficient)

Designed a 2D layout of my own bedroom for cooling load calculations as part of a course assignment, optimizing the 

space for energy efficiency and thermal comfort.  

 Document Preparation and Illustration Software

• Microsoft Office (Highly Proficient)

    Skilled in preparing detailed documentation in Microsoft Word, creating effective presentations in PowerPoint, and 

   conducting thorough data analysis in Excel.

• LaTeX (Highly Proficient)

    Prepared my undergraduate thesis, postgraduate thesis, and CV using Overleaf Online LaTeX Editor.

• Tecplot360 (Highly Proficient)

     Utilized to generate detailed graphs for undergraduate lab reports and thesis, enhancing data visualization and analysis