jeongmin0658/kentech_tutorial_efchem

Kentech Tutorial of Advancing Sustainability through Computational Chemistry Methods

Advancing Sustainability through Computational Chemistry Methods.

This tutorial is a collaborative effort showcasing the work of undergraduate students of Kentech, with a focus on the computational elements of Chemistry and Energy Engineering. This document will continue to be updated, reflecting the ongoing learning and innovative activities taking place at Kentech.

Yet, this tutorial is more than just a collection of academic activities. It is envisaged as a platform facilitating the exchange of knowledge and experiences amongst students. Through such discourse, I aspire to foster a positive and dynamic learning culture at Kentech. As we navigate this path of scientific exploration, we are committed to learning, sharing, and collectively evolving.

---

Download tutorial

You can download the tutorial here.

---

Methods

Monte Carlo simulation: Developed through a CCP program entitled "Let's Roll a Dice: Monte Carlo Simulation 101" with the support of Kentech Residential College Education Center. See the 1st edition of the tutorial.

Molecular Dynamics simulation: Developed through a class of "Fundamentals of molecular simulation" at Kentech in 2023 Fall. See the 2nd edition of the tutorial.