Related papers: Variational procedure for nuclear shell-model calc…
We investigate stripe patterns formation far from threshold using a combination of topological, analytic, and numerical methods. We first give a definition of the mathematical structure of `multi-valued' phase functions that are needed for…
The learning and evaluation of energy-based latent variable models (EBLVMs) without any structural assumptions are highly challenging, because the true posteriors and the partition functions in such models are generally intractable. This…
In this work, we introduce Variational Umbrella Seeding, a novel technique for computing nucleation barriers. This new method, a refinement of the original seeding approach, is far less sensitive to the choice of order parameter for…
In this paper, an alternative method to range-separated linear-response time-dependent density-functional theory and perturbation theory is proposed to improve the estimation of the energies of a physical system from the energies of a…
For the nonparametric regression models with covariates contaminated with normal measurement errors, this paper proposes an extrapolation algorithm to estimate the nonparametric regression functions. By applying the conditional expectation…
Study of scattering process in the nonlocal interaction framework leads to an integro-differential equation. The purpose of the present work is to develop an efficient approach to solve this integro-differential equation with high degree of…
In recent years, the scalar auxiliary variable (SAV) approach has become very popular and hot in the design of linear, high-order and unconditional energy stable schemes of gradient flow models. However, the nature of SAV-based numerical…
High-precision predictions of nuclear properties are a central objective of ab initio nuclear structure theory. However, state-of-the-art many-body methods rely on truncated model spaces to render the nuclear many-body problem tractable,…
We review the notion of symmetry breaking and restoration within the frame of nuclear energy density functional methods. We focus on key differences between wave-function- and energy-functional-based methods. In particular, we point to…
A parameterization strategy for molecular models on the basis of force fields is proposed, which allows a rapid development of models for small molecules by using results from quantum mechanical (QM) ab initio calculations and thermodynamic…
Shell model wave functions have been used to form microscopic g-folding optical potentials with which elastic scattering data from 8He, 10,11C, and 18,20,22O scattering on hydrogen has been analyzed. Those potentials, the effective…
In practical regression applications, multiple covariates are often measured, but not all may be associated with the response variable. Identifying and including only the relevant covariates in the model is crucial for improving prediction…
Accurate parameter estimation of gravitational waves from coalescing compact binary sources is a key requirement for gravitational-wave astronomy. Evaluating the posterior probability density function of the binary's parameters (component…
In what has been described as the fourth age of Quantum Chemistry, variational nuclear motion programs are now routinely being used to obtain the vibration-rotation levels and corresponding wavefunctions of small molecules to the sort of…
The rich phenomenology of quantum many-body systems such as atomic nuclei is complex to interpret. Often, the behaviour (e.g. evolution with the number of constituents) of measurable/observable quantities such as binding or excitation…
Building a scalable machine learning system for unsupervised anomaly detection via representation learning is highly desirable. One of the prevalent methods is using a reconstruction error from variational autoencoder (VAE) via maximizing…
The $GW$ approximation has been recently gaining popularity among the method for simulating molecular core-level X-ray photoemission spectra. Traditionally, $GW$ core-level binding energies have been computed using either the cc-pV$n$Z or…
Using the time-dependent theory of quantum mechanics, we investigate nuclear electric dipole responses. The time evolution of a wave function is explicitly calculated in the coordinate-space representation. The particle continuum is treated…
A Gutzwiller-type variational wave function is proposed for the neutron resonance mode in the cuprate superconductors. An efficient re-weighting technique is devised to perform variational Monte Carlo simulation on the proposed wave…
Since a transcendental equation is involved in vapor liquid equilibrium (VLE) calculations with a cubic equation of state (EoS), any exact solution has to be carried out numerically with an iterative approach [1,2]. This causes significant…