相关论文: Numerical investigation of reversed gas feed confi…

We use a diffusion Monte Carlo method to calculate the lowest energy state of a uniform gas of bosons interacting through different model potentials, both strictly repulsive and with an attractive well. We explicitly verify that at low…

Efficient quantum Monte Carlo update schemes called directed loops have recently been proposed, which improve the efficiency of simulations of quantum lattice models. We propose to generalize the detailed balance equations at the local…

We present a linear response theory for stationary density accumulations in anomalous transport phenomena, such as the orbital Hall effect, where the transported density is odd under time reversal and the underlying charge is not conserved.…

The Monte Carlo method in the canonical ensemble is used to investigate magnetization reversal in amorphous transition metal - rare earth multilayers. Our study is based on a model containing diluted clusters which exhibit an effective…

We present a promising coarse-graining strategy for linking micro- and mesoscales of soft matter systems. The approach is based on effective pairwise interaction potentials obtained from detailed atomistic molecular dynamics (MD)…

We present an experimental technique to generate and measure a temperature bias in the quantum Hall effect of GaAs/AlGaAs Corbino samples. The bias is generated by injecting an electrical current at a central resistive heater and the…

This research work is part of a PhD project aiming to design a new helicon plasma thruster for cargo space missions, within a collaboration between the School of Aerospace Engineering of La Sapienza University and the ENEA Frascati research…

Tethering methods allow us to perform Monte Carlo simulations in ensembles with conserved quantities. Specifically, one couples a reservoir to the physical magnitude of interest, and studies the statistical ensemble where the total…

Using argon as the working fluid in an internal combustion engine holds the potential of substantially enhancing thermal efficiency because of its high specific heat ratio. Burning hydrogen, not with air but with pure oxygen, in a…

We propose an improved twist-averaging scheme for quantum Monte Carlo methods that use converged Kohn-Sham or Hartree-Fock orbitals as the reference. This twist-averaging technique is tailored to sample the Brillouin zone of magnetic…

We introduce a Monte Carlo algorithm to efficiently compute transport properties of chaotic dynamical systems. Our method exploits the importance sampling technique that favors trajectories in the tail of the distribution of displacements,…

Currently, our general approach to retrieving molecular structures from ultrafast gas-phase diffraction heavily relies on complex ab initio electronic or vibrational excited state simulations to make conclusive interpretations. Without such…

A binary fluid mixture in contact with lateral particle reservoirs is considered. By imposing different particle concentrations in these reservoirs, the system can be maintained under controlled non-equilibrium conditions. Previous…

Ground state of the two-dimensional hard-core-boson model subjected to external magnetic field and quenched random chemical potential is studied numerically. In experiments, magnetic-field-tuned superconductor-insulator transition has…

In an earlier joint work, we studied a sequential Monte Carlo algorithm to sample from the Gibbs measure supported on torus with a non-convex energy function at a low temperature, where we proved that the time complexity of the algorithm is…

Our interest goes to the behavior of a tracer particle, accelerated by a constant and uniform external field, when the energy injected by the field is redistributed through collision to a bath of unaccelerated particles. A non equilibrium…

We report an accurate Monte Carlo calculation of the phase diagram and clustering properties of the restricted primitive model with non-additive hard-sphere diameters. At high density the positively non-additive fluid shows more clustering…

Monte Carlo statistical ray-tracing methods are commonly employed to simulate carrier transport in nanostructured materials. In the case of a large degree of nanostructuring and under linear response (small driving fields), these…

This paper describes an inverse shape design method for thermoelastic bodies. With a known equilibrium shape as input, the focus of this paper is the determination of the corresponding initial shape of a body undergoing thermal expansion or…

We study lithium systems over a range of number of atoms, e.g., atomic anion, dimer, metallic cluster, and body-centered cubic crystal by the diffusion Monte Carlo method. The calculations include both core and valence electrons in order to…