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We perform simulations for long hard-sphere polymer chains using a recently developed binary-tree based Monte Carlo method. Systems in two to five dimensions with free and periodic boundary conditions and up to $10^7$ repeat units are…
We study images of equilibrium (Gibbs) states for a class of non-invertible transformations associated to conformal iterated function systems with overlaps $\mathcal S$. We prove exact dimensionality for these image measures, and find a…
I describe the computation of energy widths of nuclear states using an integral over the interaction region of ab initio variational Monte Carlo wave functions, and I present calculated widths for many states. I begin by presenting…
We present a new, biased Monte Carlo scheme for simulating complex, cyclic peptides. Backbone atoms are equilibrated with a biased rebridging scheme, and side-chain atoms are equilibrated with a look-ahead configurational bias Monte Carlo.…
The effects of strong Coulomb correlations in dense three-dimensional electron-hole plasmas are studied by means of unbiased direct path integral Monte Carlo simulations. The formation and dissociation of bound states, such as excitons and…
The two-species cold atomic Fermi gas with attractive short-range interactions in two spatial dimensions undergoes a Bardeen-Cooper-Schrieffer (BCS) to a Bose-Einstein Condensate (BEC) crossover as a function of $\ln (k_F a)$, where $a$ is…
With a probability of success of $95 \%$ we solve the separability problem for Bell diagonal qutrit states with positive partial transposition (PPT). The separability problem, i.e. distinguishing separable and entangled states, generally…
The uniform electron gas (UEG) at finite temperature is of high current interest due to its key relevance for many applications including dense plasmas and laser excited solids. In particular, density functional theory heavily relies on…
The $^1S_0$ pairing in neutron matter has been investigated in presence of realistic two-- and three--nucleon interactions. We have adopted the Argonne $v_{8^\prime}$ NN and the Urbana IX 3N potentials. Quantum Monte Carlo theory,…
We present a quantitative model for magneto-optical traps operating on narrow transitions, where the transition linewidth and the recoil shift are comparable. We combine a quantum treatment of the light scattering process with a Monte-Carlo…
Exact diagonalization expansions of Bose or Fermi gases with contact interactions converge very slowly due to a non-analytic cusp in the wave function. Here we develop a transcorrelated approach where the cusp is treated exactly and folded…
Machine learning interatomic potentials (MLIPs) are routinely used to model diverse atomistic phenomena, yet parameterizing them to accurately capture solid-state phase transformations remains difficult. We present error metrics and…
Sought-after ordered structures of mixtures of hard anisotropic nanoparticles can often be thermodynamically unfavorable due to the components' geometric incompatibility to densely pack into regular lattices. A simple compatibilization rule…
We analyse the performance of a recursive Monte Carlo method for the Bayesian estimation of the static parameters of a discrete--time state--space Markov model. The algorithm employs two layers of particle filters to approximate the…
The high precision and conformity of intensity-modulated particle therapy (IMPT) comes at the cost of susceptibility to treatment uncertainties in particle range and patient set-up. Dose uncertainty quantification and mitigation, which is…
Absolute transition frequencies of the $2s\; ^2{\rm S}_{1/2} \rightarrow 2p\;^2\mathrm{P}_{1/2,3/2}$ transitions in Be$^+$ were measured for the isotopes $^{7,9-12}$Be. The fine structure splitting of the $2p$ state and its isotope…
We discuss a phase transition in spin glass models which have been rarely considered in the past, namely the phase transition that may take place when two real replicas are forced to be at a larger distance (i.e. at a smaller overlap) than…
Identifying future congestion points in electricity distribution networks is an important challenge distribution system operators face. A proven approach for addressing this challenge is to assess distribution grid adequacy using…
The entanglement entropy probing novel phases and phase transitions numerically via quantum Monte Carlo has made great achievements in large-scale interacting spin/boson systems. In contrast, the numerical exploration in interacting fermion…
We investigate, using Monte Carlo simulations, the phase diagram of a system of hard rectangles of size $m\times mk$ on a square lattice when the aspect ratio $k$ is a non-integer. The existence of a disordered isotropic phase, a nematic…