Related papers: PHASEGO: A toolkit for automatic calculation and p…
The Hawking--Page phase transitions of the Schwarzschild and charged black holes are investigated in an extended phase space, in which the black holes are enclosed in a spherical cavity of radius $r_B$ in asymptotically flat space. An…
Transition temperature data obtained as a function of particle density in the $^4$He-Vycor system are compared with recent theoretical calculations for 3D Bose condensed systems. In the low density dilute Bose gas regime we find, in…
Density functional theory calculations are performed on phosphorene quantum dots having different shapes and edge terminations to investigate their structure stability, electronic properties, and gas sensing ability. All the selected…
A review of the present state of investigations of the pseudospin-electron model (PEM), which is used in the theory of strongly correlated electron systems, is given. The model is used to describe the systems with the locally anharmonic…
We calculate the hydrogen Hugoniot using ab initio path integral Monte Carlo. We introduce an efficient finite-temperature fixed-node approximation for handling fermions, which includes an optimized mixture of free particle states and…
The thermodynamic free energy F is calculated for a gas whose particles are the quantum excitations of a piecewise uniform bosonic string. The string consists of two parts of length L_I and L_II, endowed with different tensions and mass…
Microcanonical statistics can be well applied to non-extensive systems like nuclei, atomic clusters and systems at phase transitions of first order with inhomogeneous configurations like phase separation. No thermodynamic limit has to be…
The Broad Histogram is a method allowing the direct calculation of the energy degeneracy $g(E)$. This quantity is independent of thermodynamic concepts such as thermal equilibrium. It only depends on the distribution of allowed (micro)…
This work introduces ChemPlasKin, a freely accessible solver optimized for zero-dimensional (0D) simulations of chemical kinetics of neutral gas in non-equilibrium plasma environments. By integrating the electron Boltzmann equation solver,…
We propose a method, Temperature Integration, which allows an efficient calculation of free energy differences between two systems of interest, with the same degrees of freedom, which may have rough energy landscapes. The method is based on…
All ensembles of statistical mechanics are equivalent in the sense that they give the equivalent thermodynamic functions in the thermodynamic limit. However, when investigating microscopic structures in the first-order phase transition…
We use an optimised hopping parameter expansion for the free energy (linear delta expansion) to study the phase transitions at finite temperature and finite charge density in a global U(1) scalar Higgs sector on the lattice at large lattice…
We explore the recently introduced $\eta$-ensemble approach to compute the free energy directly from \emph{ab initio} path integral Monte Carlo (PIMC) simulations [T.~Dornheim \emph{et al.}, arXiv:2407.01044] and apply it to the archetypal…
A phase-space generation algorithm, capable to efficiently integrate the squared amplitude of any scattering process, is presented. The algorithm has been implemented in a Monte Carlo program, PHEGAS, which, using HELAC, a helicity…
We consider a homogeneous non-ideal Bose gas at nonzero temperature in equilibrium below the critical temperature $T_C$ in the framework of finite temperature field theory. An algorithm is described in which a manageable subset of diagrams…
There have existed for a long time a paradigm that TiO phases at ambient conditions are stable only if structural vacancies are available. Using an evolutionary algorithm, we perform an ab initio search of possible zero-temperature…
We study zero-temperature quantum fluctuations in harmonically trapped one-dimensional interacting Bose gases, using the self-consistent multiconfigurational time-dependent Hartree method. We define $phase$ $fluctuations$ from the full…
We show how complex resonance poles and threshold energies for systems in hadron physics can be accurately obtained by using a method based on the Pad\'{e}-approximant which was recently developed for the calculation of resonance poles for…
Quantum computers are capable of calculating the energy gap of two electronic states by using the quantum phase difference estimation (QPDE) algorithm. The Bayesian inference based implementations for the QPDE have been reported so far, but…
Pade approximants (PA's) are constructed from the perturbative coefficients of the free energy through O(g^5) in hot QCD. Pade summation is shown to reduce the renormalization-scale dependence substantially even at temperature (T) as low as…