4 papers
Attenuating the fermion sign problem in path integral Monte Carlo simulations using the Bogoliubov inequality and thermodynamic integration
Tobias Dornheim, Michele Invernizzi, Jan Vorberger +1
Accurate thermodynamic simulations of correlated fermions using path integral Monte Carlo (PIMC) methods are of paramount importance for many applications such as the description o…
Path Integral Molecular Dynamics for Fermions: Alleviating the Sign Problem with the Bogoliubov Inequality
Barak Hirshberg, Michele Invernizzi, Michele Parrinello
We present a method for performing path integral molecular dynamics (PIMD) simulations for fermions and address its sign problem. PIMD simulations are widely used for studying many…
Metadynamics of paths
Davide Mandelli, Barak Hirshberg, Michele Parrinello
We present a method to sample reactive pathways via biased molecular dynamics simulations in trajectory space. We show that the use of enhanced sampling techniques enables unconstr…
Path Integral Molecular Dynamics for Bosons
Barak Hirshberg, Valerio Rizzi, Michele Parrinello
Trapped Bosons exhibit fundamental physical phenomena and are potentially useful for quantum technologies. We present a method for simulating Bosons using path integral molecular d…