Related papers: MFGSB (ver. 1.0): Computer code for self-consisten…
We propose a scalable scheme to implement quantum computation in graphene nanoribbon. It is shown that electron or hole can be naturally localized in each zigzag region for a graphene nanoribbon with a sequence of Z-shaped structure without…
We have developed MGGPOD, a user-friendly suite of Monte Carlo codes built around the widely used GEANT (Version 3.21) package. The MGGPOD Monte Carlo suite and documentation are publicly available for download. MGGPOD is an ideal tool for…
The main idea in this paper is merging two techniques that have been recently developed. On the one hand, we consider MCCGS, standing for Minimal Canonical Comprehensive Groebner Systems, a recently introduced computational tool yielding…
The high computational cost of ab-initio methods limits their application in predicting electronic properties at the device scale. Therefore, an efficient method is needed to map the atomic structure to the electronic structure quickly.…
In geostatistics, Gaussian random fields are often used to model heterogeneities of soil or subsurface parameters. To give spatial approximations of these random fields, they are discretized. Then, different techniques of geostatistical…
Gaussian Approximation Potentials are a class of Machine Learned Interatomic Potentials routinely used to model materials and molecular systems on the atomic scale. The software implementation provides the means for both fitting models…
In this article, we propose two numerical methods, the Gaussian Process (GP) method and the Fourier Features (FF) algorithm, to solve mean field games (MFGs). The GP algorithm approximates the solution of a MFG with maximum a posteriori…
Field-level inference has emerged as a promising framework to fully harness the cosmological information encoded in next-generation galaxy surveys. It involves performing Bayesian inference to jointly estimate the cosmological parameters…
FeynHiggs is a program for computing MSSM Higgs-boson masses and related observables, such as mixing angles, branching ratios, and couplings, including state-of-the-art higher-order contributions. The centerpiece is a Fortran library for…
Gaussian Boson Sampling (GBS) is a quantum computing concept based on drawing samples from a multimode nonclassical Gaussian state using photon-number resolving detectors. It was initially posed as a near-term approach aiming to achieve…
A microscopic method for calculating nuclear level densities (NLD) is developed, based on the framework of energy density functionals. Intrinsic level densities are computed from single-quasiparticle spectra obtained in a finite-temperature…
A method of deriving the Hamiltonian of the interacting boson model, that is based on the microscopic framework of the nuclear energy density functional, is presented. The constrained self-consistent mean-field calculation with a given…
A simple scheme is described for introducing the correct cusps at nuclei into orbitals obtained from Gaussian basis set electronic structure calculations. The scheme is tested with all-electron variational quantum Monte Carlo (VMC) and…
We develop a generalized gradient expansion of the inhomogeneous dynamical mean-field theory method for determining properties of ultracold atoms in a trap. This approach goes beyond the well-known local density approximation and at higher…
Certain quantum topological invariants of three manifolds can be written in the form of the Gaussian sum. It is shown that such topological invariants can be approximated efficiently by a quantum computer. The invariants discussed here are…
The level density is among the most important statistical nuclear properties. It appears in Fermi's golden rule for transition rates and is an important input to the Hauser-Feshbach theory of compound nucleus reactions. We discuss empirical…
A computer program is presented by which one may calculate the multiple electric dipole, electric quadrupole and magnetic dipole Coulomb excitation with relativistic heavy ions. The program applies to an arbitrary nucleus, specified by the…
Recent developments in theoretical modeling and in computational power have allowed us to make significant progress on a goal not achieved yet in nuclear theory: a fully microscopic theory of nuclear fission. The complete microscopic…
Starting from successful self-consistent mean-field models, this paper discusses why and how to go beyond the mean field approximation. To include long-range correlations from fluctuations in collective degrees of freedom, one has to…
Functionals of the meta-generalized gradient approximation (MGGA) are nowadays widely used in chemistry and solid-state physics for the simulation of electronic systems like molecules, solids, or surfaces. Due to their dependency on the…