<aside> ā Home | Getting Started with CCR | Learning Resources | Software | Hardware | Best Practices
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<aside> š¢ You may use large language models (ChatGPT, Google Bard, Perplexity, Bing Chat etc.) to help you learn new materials, understand difficult concepts, and solve technical problems. Read our group policies about using AI:
Shi Group Policies on Usage of Generative AI Service
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Understanding Molecular Simulation 3rd Ed. by Frenkel and Smit
One of the most popular molecular simulation books. This book provides nice descriptive introductions to all sorts of molecular simulation techniques. Be careful about possible typos in equations in this book. The 3rd Ed. just came out last year.
Computer Simulation of Liquids 2nd Ed. by Allen and Tildesley
Theory of Simple Liquids 4th Ed. by Hansen and McDonald
This book gives an advanced but self-contained account of liquid state theory within the unifying framework provided by classical statistical mechanics. I personally like this book a lot because there is no typo in the equations (at least I havenāt found one thus far). I used to use it as a handbook for useful & fundamental classical statistical mechanics equations.
<aside> š” Do you know that you can access the journal from your home WIFI by adding a proxy server bookmark? See UB website for detailed instructions.
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Modern Quantum Chemistry by Szabo and Ostlund
This is the book I used when I learned quantum mechanics for the first time. The aim of this graduate-level textbook is to present and explain, at other than a superficial level, modemĀ ab initioĀ approaches to the calculation of the electronic structure and properties of molecules. This book is available for purchase in Amazon.
Density Functional Theory: A Practical Introduction by Sholl and Steckel
A very useful book to learn Density Functional Theory (DFT) for materialās electronic structure calculations. This book contains a lot of practical guides on how to perform DFT calculations in a rigorous way.