相关论文: Generalizations of the Fuoss Approximation for Ion…
We study a system of penetrable bosons on a line, focusing on the high-density/weak-interaction regime, where the ground state is, to a good approximation, a condensate. Under compression, the system clusterizes at zero temperature, i.e.,…
We describe the relationship between the GW approximation and various equation-of-motion (EOM) coupled-cluster (CC) theories. We demonstrate the exact equivalence of the G$_0$W$_0$ approximation and the propagator theory for an…
Numerous models have been proposed to describe the Bose-Einstein correlations in multiple particle production processes. In the present paper we describe a generalization, which includes many previous models as special cases and, therefore,…
Combining the outputs of multiple classifiers or experts into a single probabilistic classification is a fundamental task in machine learning with broad applications from classifier fusion to expert opinion pooling. Here we present a…
Recent developments in molecular theories and simulation of ions and polar molecules in water are reviewed. The hydration of imidazole and imidazolium solutes is used to exemplify the theoretical issues. The treatment of long-ranged…
This study concerns the mean-clustering approach to modelling the evolution of lattice dynamics. Instead of tracking the state of individual lattice sites, this approach describes the time evolution of the concentrations of different…
A classical density functional theory is applied to study solvation of solutes in water. An approx- imate form of the excess functional is proposed for water. This functional requires the knowledge of pure solvent direct correlation…
Water-in-salt electrolytes (WiSEs) are a class of super-concentrated electrolytes that have shown much promise in replacing organic electrolytes in lithium-ion batteries. At the extremely high salt concentrations of WiSEs, ionic association…
An information-theoretic development is given for the problem of compound Poisson approximation, which parallels earlier treatments for Gaussian and Poisson approximation. Let $P_{S_n}$ be the distribution of a sum $S_n=\Sumn Y_i$ of…
The excess entropy of restricted primitive model electrolytes is calculated using a potential based approach through the symmetric Poisson-Boltzmann and the modified Poisson-Boltzmann theories. The theories are utilized in conjunction with…
A precise understanding of solvation is essential for rational search and design of electrolytes that can meet performance demands in Li-ion and beyond Li-ion batteries. In the context of Li-O$_2$ batteries, ion pairing is decisive in…
Understanding and designing inertial confinement fusion (ICF) implosions through radiation-hydrodynamics simulations rely on the accurate knowledge of the equation of state (EOS) of the deuterium and tritium fuels. To minimize the drive…
In this paper, we will review the results obtained thus far by Eric A. Carlen, Elliott H. Lieb and me on a Simplified Approach to the Bose gas. The Simplified Approach yields a family of effective one-particle equations, which capture some…
Molecular dynamics simulations of water, liquid beryllium fluoride and silica melt are used to study the accuracy with which the entropy of ionic and molecular liquids can be estimated from atom-atom radial distribution function data. All…
A subsystem approach for obtaining electron binding energies in the valence region and apply it to the case of halide ions (X$^-$, X = F-At) in water. This approach is based on electronic structure calculations combining the relativistic…
Let $\mathfrak{m}$ be a random tessellation in $\mathbf{R}^d$ observed in a bounded Borel subset $W$ and $f(\cdot)$ be a measurable function defined on the set of convex bodies. To each cell $C$ of $\mathfrak{m}$ we associate a point $z(C)$…
In this paper we develop a methodology for the mesoscale simulation of strong electrolytes. The methodology is an extension of the Fluctuating Immersed Boundary (FIB) approach that treats a solute as discrete Lagrangian particles that…
We present a Bayesian data fusion method to approximate a posterior distribution from an ensemble of particle estimates that only have access to subsets of the data. Our approach relies on approximate probabilistic inference of model…
This letter considers several physical arguments about contributions to hydrophobic hydration of inert gases, constructs default models to test them within information theories, and gives information theory predictions using those default…
Diffusion distillation provides an effective approach for learning lightweight and few-steps diffusion models with efficient generation. However, evaluating their generalization remains challenging: theoretical metrics are often impractical…