Related papers: Downloading the Nuclear Structure Shell Model Code…

The nuclear structure dependence of direct reactions that remove a pair of like or unlike nucleons from a fast $^{12}$C projectile beam are considered. Specifically, we study the differences in the two-nucleon correlations present and the…

We report on four different approaches to implementing hash-consing in Coq programs. The use cases include execution inside Coq, or execution of the extracted OCaml code. We explore the different trade-offs between faithful use of pristine…

We analyze a quantum computer (QC) design based on nuclear spin qubits in a quasi-one-dimensional (1D) chain of non-Kramers doublet atoms. We explore the use of spatial symmetry breaking to obtain control over the local dynamics of a qubit.…

Molecular adsorption is the first important step of many surface-mediated chemical processes, from catalysis to tribology. This phenomenon is controlled by physical/chemical interactions, which can be accurately described by first…

X-ray absorption spectroscopy (XAS) is a powerful technique to probe the electronic and structural properties of materials. With the rapid growth in both the volume and complexity of XAS datasets driven by advancements in synchrotron…

We report on the computational characteristics of ab initio nuclear structure calculations in a symmetry-adapted no-core shell model (SA-NCSM) framework. We examine the computational complexity of the current implementation of the SA-NCSM…

The Open Knowledgebase of Interatomic Models (OpenKIM) is an NSF Science Gateway that archives fully functional computer implementations of interatomic models (potentials and force fields) and simulation codes that use them to compute…

Fault-tolerant quantum computation promises to solve outstanding problems in quantum chemistry within the next decade. Realizing this promise requires scalable tools that allow users to translate descriptions of electronic structure…

The presence of source code that is no longer needed is a handicap to project maintainability. The larger and longer-lived the project, the higher the chances of accumulating dead code in its different forms. Manually detecting unused code…

I give in this lecture an overview of the features of the Mathematica package SARAH, and explain how it can be used together with other codes to study all aspects of a BSM model. The focus will be on the description of the analytical…

In this paper, we show how to construct non-binary entanglement-assisted stabilizer quantum codes by using pre-shared entanglement between the sender and receiver. We also give an algorithm to determine the circuit for non-binary…

Accurately predicting experimentally realizable 3D molecular crystal structures from their 2D chemical graphs is a long-standing open challenge in computational chemistry called crystal structure prediction (CSP). Efficiently solving this…

We report on three different approaches to use hash-consing in programs certified with the Coq system, using binary decision diagrams (BDD) as running example. The use cases include execution inside Coq, or execution of the extracted OCaml…

Advances in imaging methods such as electron microscopy, tomography and other modalities are enabling high-resolution reconstructions of cellular and organelle geometries. Such advances pave the way for using these geometries for…

The interplay of x-ray ionization and atomic and nuclear degrees of freedom is investigated theoretically in the process of laser-assisted nuclear excitation by electron capture. In the resonant process of nuclear excitation by electron…

High precision atomic data is indispensable for experiments involving studies of fundamental interactions, astrophysics, atomic clocks, plasma science, and others. We develop new parallel atomic structure codes and explore the difficulties…

The radiative thermal neutron capture cross sections over the range of thermal energies from 1 keV to 1 MeV are studied in statistical Hauser-Feshbach formalism. The optical model potential is constructed by folding the density dependent…

In this article, a software package code named OPSIAL (Optical Plasma Spectral Calculation And Parameters Retrieval) for rigorously calculating optical plasma spectra and for automatically retrieving plasma parameters is presented. OPSIAL…

We use the recently developed Center for Radiative Shock Hydrodynamics (CRASH) code to numerically simulate laser-driven radiative shock experiments. These shocks are launched by an ablated beryllium disk and are driven down xenon-filled…

CMS ECAL physicists must be able to extract physics characteristics from the ECAL construction database for the calibration of sets of detector components. Other applications, such as geometry for simulation and physics event…