Related papers: CNUCTRAN: A program for computing final nuclide co…
The recently introduced algorithm randUTV provides a highly efficient technique for computing accurate approximations to all the singular values of a given matrix $A$. The original version of randUTV was designed to compute a full…
Quantum molecular dynamics is applied to study the ground state properties of nuclear matter at subsaturation densities. Clustering effects are observed as to soften the equation of state at these densities. The structure of nuclear matter…
Classical nucleation theory (CNT), linking rare nucleation events to the free energy landscape of a growing nucleus, is central to understanding phase-change kinetics in passive fluids. Nucleation in non-equilibrium systems is much harder…
Chemical reactor networks (CRNs) enable simulations of combustion reactors with detailed chemical kinetics and strongly simplified flow structure. In this paper, the implementation of a reactor component with less idealized flow structure,…
In the last years, chiral effective field theory has been successfully developed for and applied to systems with few nucleons. Here, I present a new approach for ab initio calculations of nuclei that combines these precise and systematic…
In mutation testing the question whether a mutant is equivalent to its program is important in order to compute the correct mutation score. Unfortunately, answering this question is not always possible and can hardly be obtained just by…
The Chemical Reaction Networks (CRN) interpreted through the differential semantics, even when restricted to elementary reactions with mass action law kinetics, form a Turing-complete language. This means that any computable real function…
Quantum simulation has wide applications in quantum chemistry and physics. Recently, scientists have begun exploring the use of randomized methods for accelerating quantum simulation. Among them, a simple and powerful technique, called…
Matrix completion focuses on recovering a matrix from a small subset of its observed elements, and has already gained cumulative attention in computer vision. Many previous approaches formulate this issue as a low-rank matrix approximation…
The classical nucleation theory (CNT) concept of a nucleus as a fragment of the bulk new phase fails for nanosized nuclei. An extension of CNT taking into account the properties of the transition region between coexisting bulk phases is…
An emerging application of Raman spectroscopy is monitoring the state of chemical reactors during biologic drug production. Raman shift intensities scale linearly with the concentrations of chemical species and thus can be used to…
Quantum computers represent a new computational paradigm with steadily improving hardware capabilities. In this article, we present the first study exploring how current quantum computers can be used to classify different neutrino event…
Classical nucleation theory (CNT) is built upon the capillarity approximation, i.e., the assumption that the nucleation properties can be inferred from the bulk properties of the melt and the crystal. Although CNT's simplicity and…
We revisit classical nucleation theory (CNT) for the homogeneous bubble nucleation rate and improve the classical formula using a new prefactor in the nucleation rate. Most of the previous theoretical studies have used the constant…
We describe a Fortran 90 program to calculate population ratios of atomic levels. The program solves the equations of statistical equilibrium considering all possible bound-bound processes: spontaneous, collisional or radiation induced (the…
The demand for clean energy is ever increasing, with new nuclear technologies presenting a complementary solution to renewable energies. However, designing and operating these systems is exceptionally difficult, given the complexity of the…
The resolving power of solid-state nuclear magnetic resonance (NMR) crystallography depends heavily on the accuracy of computational predictions of NMR chemical shieldings of candidate structures, which are usually taken to be local minima…
The relation between the neutron background in neutron capture measurements and the neutron sensitivity related to the experimental setup is examined. It is pointed out that a proper estimate of the neutron background may only be obtained…
Quantum Monte Carlo methods have proved very valuable to study the structure and reactions of light nuclei and nucleonic matter starting from realistic nuclear interactions and currents. These ab-initio calculations reproduce many low-lying…
Precise reconstruction of top quark properties is a challenging task at the Large Hadron Collider due to combinatorial backgrounds and missing information. We introduce a physics-informed neural network architecture called the Covariant…