Quantum Monte Carlo methods — recent developments

Alán Aspuru‐Guzik, Brian M. Austin, Dominik Domin +8 more

Robert B. Wiringa, Paweł Danielewicz

Tommaso Torelli, Luboš Mitáš

The quantum Monte Carlo (QMC) method is a modern many-body computational methodology which proves very successful for the studies of systems with pronounced electron correlation effects. We describe basic procedures necessary to achieve chemical accuracy (1 kcal/mol) in the estimation of energy differences. In order to extend the capabilities of our QMC procedure, we recently initiated a new development aimed at the evaluation of interatomic forces in molecular systems within the QMC framework. Here we present our current progress and preliminary results.

Naoki Kawashima

Recent developments in Monte Carlo methods for condensed matter physics are reviewed with the emphasis on the world-line Monte Carlo methods and their applications to quantum spin models.

Alessandro Roggero, A Mukherjee, Francesco Pederiva

Quantum Monte Carlo methods have been used very successfully to calculate the ground state properties of a variety of nuclear and other strongly interacting many body systems. An exciting recent development in low energy nuclear physics is the formulation of nuclear Hamiltonians based on the symmetries of quantum chromodynamics via chiral effective field theory. However, the usual coordinate space based quantum Monte Carlo implementation is unsuitable for these Hamiltonians due to the presence of non-localites. Here we report on our recent work in developing a new quantum Monte Carlo algorithm suitable for these non-local Hamiltonians, and present some results for pure neutron matter.