Practical challenges in simulating quantum systems on classical computers have been
widely recognized in the quantum physics and quantum chemistry communities over the …

Molecular dynamics (MD) allows the study of biological and chemical systems at the
atomistic level on timescales from femtoseconds to milliseconds. It complements experiment …

Amber is the collective name for a suite of programs that allow users to carry out molecular
dynamics simulations, particularly on biomolecules. None of the individual programs carries …

Roughly at the time (1987) when the manuscript for the first three chapters of the present
book was completed, several breakthroughs occurred. They had a profound influence on the …

One of Feynman's early applications of path integrals was to superfluid He 4. He showed
that the thermodynamic properties of Bose systems are exactly equivalent to those of a …

This is an overview of some of the important, challenging, and problematic issues in
contemporary electron transfer research. After a qualitative discussion of electron transfer, its …

Atomistic simulations of chemical, biological and materials systems have become
increasingly precise and predictive owing to the development of accurate and efficient …

A number of potentially practical methods have been proposed for including short-time
quantum mechanical effects in classical molecular dynamics simulations, all of which …

An introductory review of the Monte Carlo method for the statistical mechanics of condensed
matter systems is given. Basic principles (random number generation, simple sampling …

Ultrafast energy transfer is used to transmit electronic excitation among the many molecules
in photosynthetic antenna complexes. Recent experiments and theories have highlighted …