相关论文: A novel energy factorization approach for the diff…

First-order energy dissipative schemes in time are available in literature for the Poisson-Nernst-Planck (PNP) equations, but second-order ones are still in lack. This work proposes novel second-order discretization in time and finite…

A finite element discretization using a method of lines approached is proposed for approximately solving the Poisson-Nernst-Planck (PNP) equations. This discretization scheme enforces positivity of the computed solutions, corresponding to…

In this work a first attempt is made to extract the Equation of State (EoS) using experimental results of the $\phi$ meson produced in nuclear collisions at AGS, SPS and RHIC energies. The data are confronted to simple thermodynamic…

In this work we present the preliminary results of a complete equation of state (EoS) for core-collapse supernova simulations. We treat uniform matter made of nucleons using the the quark-meson coupling (QMC) model. We show a table with a…

We report a theoretical equation of state (EOS) table for boron across a wide range of temperatures (5.1$\times$10$^4$-5.2$\times$10$^8$ K) and densities (0.25-49 g/cm$^3$), and experimental shock Hugoniot data at unprecedented high…

Partition Density Functional Theory (P-DFT) is a density embedding method that partitions a molecule into fragments by minimizing the sum of fragment energies subject to a local density constraint and a global electron-number constraint. To…

Employing physically-consistent numerical methods is an important step towards attaining robust and accurate numerical simulations. When addressing compressible flows, in addition to preserving kinetic energy at a discrete level, as done in…

We present an updated and improved equation of state (which we call the NDL EoS) for use in neutron-star structure and supernova simulations. This EoS is based upon a framework originally developed by Bowers & Wilson, but there are numerous…

We calculate a new equation of state for baryons at sub-nuclear densities meant for the use in core-collapse simulations of massive stars. The abundance of various nuclei is obtained together with the thermodynamic quantities. The…

We present the development of a new algorithm which combines state-of-the-art energy-dispersive X-ray (EDX) spectroscopy theory and a suitable machine learning formulation for the hyperspectral unmixing of scanning transmission electron…

We developed an inductive energy participation ratio (IEPR) method and a streamlined procedure for simulating and verifying superconducting quantum chips. These advancements are increasingly vital in the context of large-scale,…

We construct the equation of state (EOS) of nuclear matter at finite temperature and density with various proton fractions within the relativistic mean field (RMF) theory for the use in the supernova simulations. The Thomas-Fermi…

We present an updated general purpose nuclear equation of state (EoS) for use in simulations of core-collapse supernovae, neutron star mergers and black hole collapse. This EoS is formulated in the context of Density Functional Theory (DFT)…

The Van der Waals equation (VdW-EoS) is a prototype equation of state for realistic systems, because it contains the excluded volume and the particle interactions. Additionally, the simulated annealing (and the similar simulated…

For the design and optimization of CO2 recovery from alcoholic fermentation processes by distillation, models for vapor-liquid equilibria (VLE) are needed. Two such thermodynamic models, the Peng-Robinson equation of state (EOS) and a model…

In this paper, we introduce and analyze a class of numerical schemes that demonstrate remarkable superiority in terms of efficiency, the preservation of positivity, energy stability, and high-order precision to solve the time-dependent…

In this paper, we consider the numerical approximation for a diffuse interface model of the two-phase incompressible inductionless magnetohydrodynamics problem. This model consists of Cahn-Hilliard equations, Navier-Stokes equations and…

Wereportonanewmultiscalemethodapproachforthestudyofsystemswith wide separation of short-range forces acting on short time scales and long-range forces acting on much slower scales. We consider the case of the Poisson-Boltzmann equation that…

This paper investigates energy guidance in generative modeling, where the target distribution is defined as $q(\mathbf x) \propto p(\mathbf x)\exp(-\beta \mathcal E(\mathbf x))$, with $p(\mathbf x)$ being the data distribution and $\mathcal…

The free energy principle (FEP) from neuroscience provides a framework called active inference for the joint estimation and control of state space systems, subjected to colored noise. However, the active inference community has been…