Learn quantum computational chemistry without leaving your seat

The only way to live up with hypothesis is to do our own investigation. This project is not satisfied by simulation of an armchair 3D model, instead, it is a mission to build up field knowledge about quantum computational chemistry.

We will start from learning quantum shifts in classical physics that impacts on computational science and chemistry. Then we will try to design quantum accelatrators (quantum computer designs from current technological progress) for building quantum algorithms. Then we will delve into computational chemistry to study many-atom systems..... (many more sub-knowledge) .... then we can wriggle in an armchair of where I usually procrasinate, sink in a bit, and proceed again!

What does it take to simulate chemical molecules of actual armchairs through quantum computers?

This is part of a one-year research project that looks into online education and infrastructure for quantum computational chemistry. It consists of learning materials for citizen science education. The project tends to invite professional researchers and learners from non-technical backgrounds to give feedback regarding content validities and virtual collaborations.

I would like to thank Qiskit for their phenonmenal materials and contributors for their time.

Tools

1. Jupyter - a web-based environment for interactive computing
2. Python - programming language
3. Qiskit - IBM cloud quantum computing with Python

Option 1: Online Compiler with Binder Jupyter

1. Initiate Jupyter Notebook
2. Open Armchair Quantum folder and start learning!
3. Change the end of URL from /tree to /lab after Jupyter Notebook is loaded.

Option 2: Localhost with Jupyter Installation

1. Click the green button code above to download this repository to your device.

2. Save the entire folder in a location that is east to find.

3. Read the installation documentation for Jupyter Notebook. The documentation for advanced usage of Jupyter notebook can be found here.

4. For a local installation, make sure you have pip installed and run script:

   $ pip install notebook

5. After installation, launch Jupyter with:

   $ jupyter notebook

6. For Jupyter Lab, use this command in terminal:

   $ sudo -H pip3 uninstall -y jupyterlab && sudo -H pip3 install jupyterlab

7. Run Jupyter lab with:

   $ jupyter lab

Coming up (I'll work harder)

• Introducing classical and quantum computing
• Setup for python, pennylane, julia and qiskit
• finish computational chemistry firs two chapters
• go through existing online courses for QCC
• required math of QCC
• method list for QCC simulation