LAMMPS website

Books about Molecular Dynamics generally or LAMMPS specifically

Note that these are not endorsements of particular books. We simply want to make the LAMMPS user community aware of them as potentially useful resources.

General MD books:

Books about LAMMPS specifically:

From the publisher:

While LAMMPS itself is fairly easy to use, more often than not you'll need to customize it to meet your specific simulation requirements. Extending and Modifying LAMMPS bridges this learning gap and helps you achieve this by writing custom code to add new features to LAMMPS source code.

This book is for students, faculty members, and researchers who are currently using LAMMPS or considering switching to LAMMPS, have a basic knowledge of how to use LAMMPS, and are looking to extend LAMMPS source code for research purposes. This book is not a tutorial on using LAMMPS or writing LAMMPS scripts, and it is assumed that the reader is comfortable with the basic LAMMPS syntax. The book is geared toward users with little to no experience in source code editing. Familiarity with C++ programming is helpful but not necessary.