Related papers: MFGSB (ver. 1.0): Computer code for self-consisten…
MOCABA is a combination of Monte Carlo sampling and Bayesian updating algorithms for the prediction of integral functions of nuclear data, such as reactor power distributions or neutron multiplication factors. Similarly to the established…
We propose a microscopic stochastic approach to improve description of nuclear dynamics beyond the mean-field approximation at low energies. It is shown that, for small amplitude fluctuations, the proposed model gives a result for the…
We report on the Gaussian file search system designed as part of the ChemXSeer digital library. Gaussian files are produced by the Gaussian software [4], a software package used for calculating molecular electronic structure and properties.…
The GEneral description of Fission observables (GEF) model was developed to produce fission related nuclear data which are of crucial importance for basic and applied nuclear physics. The investigation of the performance of the GEF code is…
A spin version of dynamical mean-field theory is extended for magnetically ordered states in the Heisenberg model. The self-consistency equations are solved with high numerical accuracy by means of the continuous-time quantum Monte Carlo…
We extend the recently introduced phaseless auxiliary-field quantum Monte Carlo (QMC) approach to any single-particle basis, and apply it to molecular systems with Gaussian basis sets. QMC methods in general scale favorably with system…
Global QCD analyses of nuclear parton distribution functions (nPDFs) have traditionally relied on the Hessian method for uncertainty estimation. However, the inherent Gaussian approximation and reliance on local curvature often prove…
Gaussian process (GP) emulator has been used as a surrogate model for predicting force field and molecular potential, to overcome the computational bottleneck of molecular dynamics simulation. Integrating both atomic force and energy in…
In this paper we discuss how the information contained in atomistic simulations of homogeneous nucleation should be used when fitting the parameters in macroscopic nucleation models. We show how the number of solid and liquid atoms in such…
Mutually Unbiased Bases (MUBs) constitute a fundamental geometric structure in quantum theory, known for providing an optimal measurement scheme for quantum state tomography. In prime and prime-power dimensions, analytical constructions of…
Our goal is to carry out high-precision nuclear structure calculations in connection with Radioactive Ion Beam Facilities. The main challenge for the theory of drip line nuclei is that the outermost nucleons are weakly bound (implying a…
An efficient implementation of the self-consistent GW method in the FlapwMBPT code (https://www.bnl.gov/cmpmsd/flapwmbpt/) is presented. It features the evaluation of polarizability and self-energy which scales linearly with respect to the…
Fractional Brownian motion (FBM) is the only Gaussian self-similar process with stationary increments. Its increment process, called fractional Gaussian noise, is ergodic and exhibits a property of power-like decaying autocorrelation…
The CGMF code implements the Hauser-Feshbach statistical nuclear reaction model to follow the de-excitation of fission fragments by successive emissions of prompt neutrons and $\gamma$ rays. The Monte Carlo technique is used to facilitate…
We develop a novel theoretical method for calculating spectroscopic properties of those nuclei with odd number of nucleons, that is based on the nuclear density functional theory and the particle-boson coupling scheme. Self-consistent…
Explaining observed properties in terms of underlying shape degrees of freedom is a well--established prism with which to understand atomic nuclei. Self--consistent mean--field models provide one tool to understand nuclear shapes, and their…
We describe a simple, efficient, robust and fully automatic algorithm for the determination of a Multi-Gaussian Expansion (MGE) fit to galaxy images, to be used as a parametrization for the galaxy stellar surface brightness. In most cases…
The Mean Field Variational Bayes (MFVB) method is one of the most computationally efficient techniques for Bayesian inference. However, its use has been restricted to models with conjugate priors or those that require analytical…
Reliable predictions of the static and dynamic properties of a nucleus require a fully microscopic description of both ground and excited states of this complicated many-body quantum system. Predictive calculations are key to understanding…
Machine learning interatomic potentials have become an indispensable tool for materials science, enabling the study of larger systems and longer timescales. State-of-the-art models are generally graph neural networks that employ message…