*Quantum Monte Carlo(QMC) methods are accurate numerical tools used for
computing the properties of physical models that contain a relatively
large number of atoms, e.g.: crystals, nanoclusters or
macromolecules. Although QMC computing time has the advantage of
scaling with second or third powers of the system size, very precise
results require the need to process large samples of phase space
configurations and therefore the most challenging QMC problems require
use of the most performant hardware and available algorithms
[1].
*

*In order to set the terminology we shall briefly describe the basic
mathematical concepts that provide the foundation of QMC algorithms,
for a more detailed presentation we direct the reader to
Refs [3,4].
*

*A typical quantum many-body system has electrons with positions
, of which
have spins up
have spins down, and ions with
positions
. The particle interaction is
described by the quantum Hamiltonian
*

*QMC calculations can further improve a one particle solution by
providing particle correlation contributions with the help of the
following two QMC methods:
*