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We map the mean-field Ising model equation of state onto the QCD phase diagram, and reconstruct the full coexistence region in the case of a first order phase transition. Beyond the coexistence line, we maintain access to the spinodal…
The Poisson-Boltzmann mean-field description of ionic solutions has been successfully used in predicting charge distributions and interactions between charged macromolecules. While the electrostatic model of charged fluids, on which the…
We present an approach to Bayesian mean estimation of quantum states using hyperspherical parametrization and an experiment-specific likelihood which allows utilization of all available data, even when qubits are lost. With this method, we…
We describe a method for the calculation of photoionization cross-sections using square-integrable amplitudes obtained from the diagonalization of finite-basis set representations of the electronic Hamiltonian. Three examples are…
This paper proposes a quantum circuit for computing the mean value from a given set of quantum states. The circuit consults a Quantum Random Access Memory to get the values of the set, and by using superposition, interference and…
A Monte Carlo method based on a density-of-states sampling is proposed for study of arbitrary statistical mechanical ensembles in a continuum. A random walk in the two-dimensional space of particle number and energy is used to estimate the…
Low-frequency properties of a plasma are examined within the average-atom approximation, which presumes that scattering of a conducting electron on each atom takes place independently of other atoms. The relaxation time tau distinguishes a…
Quantitative prediction of thermodynamic properties in solution is essential for translating atomistic simulations into reliable chemical insight. As an exemplar system, the behaviour of CaCO$_3$ in water has been widely studied to…
In this review article we discuss selected developments regarding the role of the equation of state (EOS) in simulations of core-collapse supernovae. There are no first-principle calculations of the state of matter under supernova…
The behaviour of partially ionized hot compressed matter is critical to the study of planetary interiors as well as for nuclear fusion studies. A recent quantum study of carbon in the 10-70 Gbar range and at a temperature of 100 eV used…
We study the influence of equation-of-state (EOS) model on the interpretation of electrical conductivity measurements in strongly coupled plasma of tungsten by Korobenko et al. (2002 Plasma Physics Reports 28(12) 1008--1016). Three…
Most studies of highly ionized plasmas have historically assumed ions are either in photoionization equilibrium, PIE, or collisional ionization equilibrium, CIE, sometimes including multiple phases with different relevant mechanisms.…
An exact approach to compute physical properties for general multi-electronic-state (MES) systems in thermal equilibrium is presented. The approach is extended from our recent progress on path integral molecular dynamics (PIMD) [J. Chem.…
Quantum Amplitude Estimation (QAE) can achieve a quadratic speed-up for applications classically solved by Monte Carlo simulation. A key requirement to realize this advantage is efficient state preparation. If state preparation is too…
A hybrid PIC-fluid model is proposed for three dimensional numerical simulation of laser-plasma interaction. Ions are treated kinetically, electrons as a ten-moment fluid, capturing ion-scale dynamics, pressure anisotropy, and…
The mean field approximation is used to investigate the general features of the dynamics of a two-level atom in a ferromagnetic lattice close to the Curie temperature. Various analytical and numerical results are obtained. We first…
The Kubo-Greenwood (KG) formula is often used in conjunction with Kohn-Sham (KS) density functional theory (DFT) to compute the optical conductivity, particularly for warm dense mater. For applying the KG formula, all KS eigenstates and…
Molecular dynamics simulations are indispensable for exploring the behavior of atoms and molecules. Grounded in quantum mechanical principles, quantum molecular dynamics provides high predictive power but its computational cost is dominated…
Recently, a novel algorithm for computing the density of states in statistical systems and quantum field theories has been proposed. The same method can be applied to theories at finite density affected by the notorious sign problem,…
The ion populations most frequently adopted for diagnostics in collisional plasmas are derived from the density independent, coronal approximation. In higher density, lower temperature conditions, ionisation rates are enhanced once…