相关论文: Hard ellipsoids: analytically approaching the exac…
The electrostatic potential in the neighborhood of a biomolecule can be computed thanks to the non-linear divergence-form elliptic Poisson-Boltzmann PDE. Dedicated Monte-Carlo methods have been developed to solve its linearized version (see…
We begin with an exact expression for the entropy of a system of hard spheres within the Hamming space. This entropy relies on probability marginals, which are determined by an extended set of Belief Propagation (BP) equations. The BP…
Using isobaric Monte Carlo simulations, we map out the entire phase diagram of a system of hard cylindrical particles of length $L$ and diameter $D$, using an improved algorithm to identify the overlap condition between two cylinders. Both…
An analytical theory for the random close packing density, $\phi_\textrm{RCP}$, of polydisperse hard disks is provided using an equilibrium model of crowding [A. Zaccone, Phys. Rev. Lett. 128, 028002 (2022)] which has been justified on the…
A new computational method for finite-temperature properties of strongly correlated electrons is proposed by extending the variational Monte Carlo method originally developed for the ground state. The method is based on the path integral in…
We study overlapping Schwarz methods for the Helmholtz equation posed in any dimension with large, real wavenumber and smooth variable wave speed. The radiation condition is approximated by a Cartesian perfectly-matched layer (PML). The…
In a previous paper a method was developed to subtract the interactions due to periodically replicated charges (or other long-range entities) in one spatial dimension. The method constitutes a generalized "electrostatic layer correction"…
Recent results suggest that new corrections to holographic entanglement entropy should arise near phase transitions of the associated Ryu-Takayanagi (RT) surface. We study such corrections by decomposing the bulk state into fixed-area…
We report multipronged progress on the stochastic averaging approach to numerical analytic continuation of quantum Monte Carlo data. With the sampled spectrum parametrized with delta-functions in continuous frequency space, a calculation of…
An approximate numerical approach to spin models is proposed, in which the original lattice is transformed into a tree. This method is applied to the Edwards-Anderson spin glass model in two and three dimensions. It captures the…
Various packing problems and simulations of hard and soft interacting particles, such as microscopic models of nematic liquid crystals, reduce to calculations of intersections and pair interactions between ellipsoids. When constrained to a…
We study thermodynamic properties of the doped Hubbard model on the square lattice in the regime of strong charge and spin fluctuations at low temperatures near the metal-to-insulator crossover and obtain results with controlled accuracy…
The static density response of the uniform electron gas is of fundamental importance for numerous applications. Here, we employ the recently developed \textit{ab initio} permutation blocking path integral Monte Carlo (PB-PIMC) technique…
The two-species Fermi gas with attractive short-range interactions in two spatial dimensions provides a paradigmatic system for the understanding of strongly correlated Fermi superfluids in two dimensions. It is known to exhibit a BEC-BCS…
Designing efficient learning algorithms with complexity guarantees for Markov decision processes (MDPs) with large or continuous state and action spaces remains a fundamental challenge. We address this challenge for entropy-regularized MDPs…
We apply the recently developed adaptive ensemble optimization technique to simulate dense Lennard-Jones fluids and a particle-solvent model by broad-histogram Monte Carlo techniques. Equilibration of the simulated fluid is improved by…
The excess entropy of restricted primitive model electrolytes is calculated using a potential based approach through the symmetric Poisson-Boltzmann and the modified Poisson-Boltzmann theories. The theories are utilized in conjunction with…
We calculate the shape dependence of entanglement entropy in (5+1)-dimensional conformal field theory in terms of the extrinsic curvature of the entangling surface, the opening angles of possible conical singularities, and the conformal…
A new Monte Carlo method for computing thermodynamical properties of very large polyelectrolytes is presented. It is based on a renormalization group relating the original polymer to a smaller system, where in addition to the naively…
A continuous-time projection quantum Monte Carlo algorithm is employed to simulate the ground state of a short-range quantum spin-glass model, namely, the two-dimensional Edwards-Anderson Hamiltonian with transverse field, featuring…