Computational Simulations in Biomedical Engineering

This repository contains computational models and simulations developed during my exchange program at KTH Royal Institute of Technology. The projects focus on applying numerical methods to biomedical engineering problems, specifically utilizing Monte Carlo methods and Molecular Dynamics simulations.

Objectives

• Implement and analyze Monte Carlo simulations for probabilistic modeling in a medical engineering context.
• Develop a multi-part molecular simulation to study particle interactions, system thermodynamics, and molecular dynamics.

Repository Contents

• lab_montecarlo.ipynb: Implementation of Monte Carlo methods to solve complex computational problems through random sampling and statistical analysis.
• molecular_simulation_parta.ipynb: Part A of the molecular dynamics project, establishing the foundational environment, boundary conditions, and initial particle states.
• molecular_simulation_partb.ipynb: Part B, focusing on simulating molecular interactions, integrating equations of motion, and calculating forces/energies over time.
• molecular_simulation_partc.ipynb: Part C, analyzing the final simulation results, observing system equilibration, and extracting thermodynamic properties.

Tech Stack

• Python
• Jupyter Notebook
• Scientific Computing Libraries (NumPy, SciPy, Matplotlib)