Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods
"A student or newcomer to the field of molecular dynamics will find the approaches discussed in Ab Initio Molecular Dynamics a good place to start. The text is written clearly and informed by the state-of-the-art research experiences of the authors themselves. Reading it is a valuable experience akin to spending time in their research groups."Donald G. Truhler, University of Minnesota, Minneapolis for Physics Today