148 citations · 409 across the 13 of their papers we have counts for
13 papers
Variance reduction for forces and pressure in variational Monte Carlo
David Linteau, Saverio Moroni, Giuseppe Carleo +1
We present simple and practical strategies to reduce the variance of Monte Carlo estimators. Our focus is on variational Monte Carlo calculations of atomic forces and pressure in e…
Optimizing excited states in quantum Monte Carlo: A reassessment of double excitations
Stuart Shepard, Anthony Scemama, Saverio Moroni +1
Quantum Monte Carlo (QMC) methods have proven to be highly accurate for computing excited states, but the choice of optimization strategies for multiple states remains an active to…
Neural Wave Functions for High-Pressure Atomic Hydrogen
David Linteau, Saverio Moroni, Giuseppe Carleo +1
We leverage the power of neural quantum states to describe the ground state wave function of solid and liquid atomic hydrogen, including both electronic and protonic degrees of fre…
Borophane as substrate for adsorption of He-4: A journey across dimensionality
Stefania De Palo, Saverio Moroni, Francesco Ancilotto +2
In search of substrates for adsorption of He atoms allowing for novel quantum phases in restricted geometry we study the case of borophane. We focus on two allotropes of borophane,…
Accurate quantum Monte Carlo forces for machine-learned force fields: Ethanol as a benchmark
Emiel Slootman, Igor Poltavsky, Ravindra Shinde +4
Quantum Monte Carlo (QMC) is a powerful method to calculate accurate energies and forces for molecular systems. In this work, we demonstrate how we can obtain accurate QMC forces f…
Liquid-liquid transition in a Bose fluid near collapse
Saverio Moroni, Fabio Cinti, Massimo Boninsegni +2
Discovering novel emergent behavior in quantum many-body systems is a main objective of contemporary research. In this paper, we explore the effects on phases and phase transitions…
Imaginary Time Correlations for a High-Density two-dimensional Electron Gas
M. Motta, D. E. Galli, S. Moroni +1
We evaluate imaginary time density-density correlation functions for a two-dimensional homogeneous electron gas using the phaseless auxiliary field quantum Monte Carlo method. We s…
Quantum Gibbs ensemble Monte Carlo
Riccardo Fantoni, Saverio Moroni
We present a path integral Monte Carlo method which is the full quantum analogue of the Gibbs ensemble Monte Carlo method of Panagiotopoulos to study the gas-liquid coexistence lin…
Minimum Energy Pathways via Quantum Monte Carlo
Sebastiano Saccani, Claudia Filippi, Saverio Moroni
We perform quantum Monte Carlo (QMC) calculations to determine minimum energy pathways of simple chemical reactions, and compare the computed geometries and reaction barriers with…
Excitation spectrum of a supersolid
Sebastiano Saccani, Saverio Moroni, Massimo Boninsegni
Conclusive experimental evidence of a supersolid phase in any known condensed matter system is presently lacking. On the other hand, a supersolid phase has been recently predicted…
Monte Carlo simulations of two-dimensional charged bosons
S. De Palo, S. Conti, S. Moroni
Quantum Monte Carlo methods are used to calculate various ground state properties of charged bosons in two dimensions, throughout the whole density range where the fluid phase is s…
Spin-Polarization transition in the two dimensional electron gas
D. Varsano, S. Moroni, G. Senatore
We present a numerical study of magnetic phases of the 2D electron gas near freezing. The calculations are performed by diffusion Monte Carlo in the fixed node approximation. At va…
Anisotropic Condensation of Helium in Nanotube Bundles
M. W. Cole, V. H. Crespi, G. Stan +3
Helium atoms are strongly attracted to the interstitial channels within a bundle of carbon nanotubes. The strong corrugation of the axial potential within a channel can produce a l…