Atomistic Simulation

Overview

This repository contains a comprehensive tutorial on Atomistic Simulation, which focuses on simulating the behavior of atoms and molecules at the microscopic level. Atomistic simulations are powerful tools for predicting material properties and analyzing phenomena in areas such as physics, chemistry, and materials science. The Jupyter Notebook in this repository provides theoretical insights and practical examples to help users understand and apply atomistic simulations.

Contents

1. Atomistic Simulation.ipynb – The Jupyter Notebook containing the tutorial and simulation code.
2. README.md – This file, providing an overview of the repository and usage instructions.

Navigation

The following topics are covered in the notebook:

• Introduction to Atomistic Simulation: Basic principles and applications.
• Molecular Dynamics: Simulating atom movement using classical mechanics.
• Potential Energy Calculations: Explanation of energy potentials used in atomistic models.
• Example Simulations: Practical examples showcasing how atomistic simulations are applied to real-world problems.
• Visualization of Atomic Structures: Use of plots and graphs to represent atomic-level simulations.

Usage

Prerequisites

You need to have the following tools installed to use this repository:

• Python
• Jupyter Notebook
• Python libraries: numpy, matplotlib, scipy, and any other necessary libraries specified in the notebook.

Installation Steps

1. Clone the repository to your local machine:

   git clone https://github.com/smahala02/Atomistic-Simulation.git

2. Navigate to the project directory:

   cd Atomistic-Simulation

3. Open the Jupyter Notebook:

   jupyter notebook "Atomistic Simulation.ipynb"

4. Follow the instructions in the notebook to run the simulation and visualize the results.

License

This project is licensed under the MIT License. See the LICENSE file for details on permissions and usage.

Contributing

We welcome contributions to improve this project! If you would like to contribute, please follow these steps:

1. Fork this repository.
2. Create a new branch (git checkout -b feature-branch).
3. Make your changes and commit them (git commit -m 'Add new feature').
4. Push to the branch (git push origin feature-branch).
5. Open a pull request, and we’ll review it.

Please open issues for any bugs or feature requests.

Author

• smahala02