Deepika Tripathi

Department of Physics

Mumbai University



MD books by Allen & Tildesley and Rapaport are a good place to start.

For glassy metal alloys, you should look in the literature for MD
models of them, then look at the LAMMPS doc pages to find

pair styles that match.


In addition, here's a free book, which I found concise and useful:

Another good reference book which goes into great detail explaining
how many simulation algorithms work:

Understanding Molecular Simulation, Second Edition: From Algorithms to
Daan Frenkel , Berend Smit

    ---(equilibrium) statistical mechanics---
In my experience, when asked this question, sometimes the person
asking also really means to ask about books on statistical mechanics
as well. Opinions differ violently on stat-mech books, and many of
the ones I know are kind of old. Here's a random list:

Dill and Bromberg (a new and popular book among biophysics students)
Reif (a classic, but long and detailed)
Chandler (a classic, but brief)
Mazenko (I actually really liked what I read from this book, but
there are more popular books)
McQuarrie (also covers non-equilibrium statistical mechanics)
Kardar (Statistical Physics of Particles)
Landau and Lifshitz (a classic, but the notation can be old fashioned,
waning popularity)

Forgive me if you don't need this information.