Related papers: Temperature effects in first-principles solid stat…
We present a strategy based on the step-scaling technique to study non-perturbatively thermal QCD up to very high temperatures. As a first concrete application, we compute the flavour non-singlet meson screening masses at 12 temperatures…
Ab initio Monte Carlo simulations have been performed to determine the equilibrium properties of liquid lithium and lithium clusters at different temperatures. First-principles density-functional methods were employed to calculate the…
We investigate the effect of temperature on resonant and antiresonant dynamics in a dilute atomic gas kicked periodically by a standing wave laser field. Our numerical calculations are based on a Monte Carlo method for an incoherent mixture…
A two-leg quenched random bond disordered antiferromagnetic spin$-1/2$ Heisenberg ladder system is investigated by means of stochastic series expansion (SSE) quantum Monte Carlo (QMC) method. Thermal properties of the uniform and staggered…
We present a Monte Carlo approach to incorporating the effect of thermal fluctuations in field theories of polymeric fluids. This method is applied to a field-theoretic model of a ternary blend of AB diblock copolymers with A and B…
The effect of thermophoresis on the impaction of particles on a cylinder is investigated for different particle sizes, particle conductivities, temperature gradients and for Reynolds numbers between 100 and 1600. Simulations are performed…
The ability to accurately predict the finite temperature properties of realistic quantum solids is central to uncovering new phases and engineering materials with novel properties. Nonetheless, there remain comparatively few many-body…
In the absence of a fermion sign problem, auxiliary field (or determinantal) quantum Monte Carlo (DQMC) approaches have long been the numerical method of choice for unbiased, large-scale simulations of interacting many-fermion systems. More…
We present a comprehensive analysis of hot and dilute isospin-asymmetric nuclear matter employing the temperature-dependent effective-relativistic mean-field theory (E-RMF). The E-RMF is applied to study the effect of $\delta$ and…
Understanding the effects of electron-electron interactions in half metallic magnets (HMs), which have band structures with one gapped spin channel and one metallic channel, poses fundamental theoretical issues as well as having importance…
The accurate interpretation of experiments with matter at extreme densities and pressures is a notoriously difficult challenge. In a recent work [T.~Dornheim et al., Nature Comm. (in print), arXiv:2206.12805], we have introduced a formally…
Despite the widespread use of silicon in modern technology, its peculiar thermal expansion is not well-understood. Adapting harmonic phonons to the specific volume at temperature, the quasiharmonic approximation, has become accepted for…
While the zero-temperature properties of harmonically trapped cold few-atom systems have been discussed fairly extensively over the past decade, much less is known about the finite-temperature properties. Working in the canonical ensemble,…
The effect of temperature inhomogeneity on the periods, their ratios (fundamental vs. first overtone), and the damping times of the standing slow modes in gravitationally stratified solar coronal loops are studied. The effects of optically…
Positron annihilation in solid state matter can be utilized to detect and identify open-volume defects. The momentum distribution of the annihilation radiation is an important observable in positron-based measurements, and can reveal…
Monte Carlo simulations of the magnetization temperature dependence in $D\times L$ nanotubes (periodic lateral boundary conditions) and nanostrips (free lateral boundary conditions) with $D$=8, 16, 32, 64$\ll L\longrightarrow 5000$ have…
We discuss the effects of fixing the winding number in quantum Monte Carlo simulations. We present a simple geometrical argument as well as strong numerical evidence that one can obtain exact ground state results for periodic boundary…
We introduce a general approach for the simulation of quantum vibrational states of (symmetric and asymmetric) double-well potentials in molecules and materials for thermodynamic and spectroscopic applications. The method involves solving…
Accurate path integral Monte Carlo or molecular dynamics calculations of isotope effects have until recently been expensive because of the necessity to reduce three types of errors present in such calculations: statistical errors due to…
The Quantum Monte Carlo method for spin 1/2 fermions at finite temperature is formulated for dilute systems with an s-wave interaction. The motivation and the formalism are discussed along with descriptions of the algorithm and various…