Good Books to Read
I am often asked to recommend good text books for different subjects. Here is a list of textbooks that I think are the best. I’ve used many of these, either as a student or as a teacher. While I have linked to amazon, this isn’t a paid link, and you shouldn’t feel any compulsion to buy the books from them.
Books on programming
Programming: Principles and Practice using C++. This is my favourite programming book and is the perfect book to use to start to learn C++ (or indeed the basics of any compiled programming language). This book will show you why the language is designed the way it is, and will give you the foundation to become a really skilled programmer and program designer.
The C++ Programming Language This is the best C++ reference book, providing both clear explanations and an in-depth reference for the C++ language. Every C++ programmer should have a copy.
C++ Template Metaprogramming: Concepts, Tools, and Techniques from Boost and Beyond An amazingly clear and detailed introduction to template metaprogramming. This is an advanced book, but you know that you are on the way to becoming a skilled programmer once you have worked your way to the end.
Python Essential Reference This is the book from which I learned Python. An indispensible reference manual, plus the first few chapters are the best introduction to Python that I have ever seen.
Learning Python I didn’t use it to learn Python, but I know many people who have. A really good introduction to Python.
Books on molecular modelling
Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory THE book to truly understand Hartree Fock theory and beyond. This will give you a strong foundation in quantum chemistry, and you will even learn how to write your own Hartree Fock program.
Computer Simulation of Liquids The book I first used to learn molecular dynamics and molecular modelling. A classic of the field and you will even learn how to write your own dynamics program.
Molecular Modelling: Principles and Applications Another classic book from which I learned computational chemistry. A really good, simple introduction to the entire field.
Statistical Mechanics Does exactly what it says on the tin. The most complete book on statistical mechanics and the tome that led me through my PhD and early PostDoc years.