Related papers: Creating a CLOUDY Compatible Database with CHIANTI…
We present a brief description of the newly upgraded versions of the programs TLUSTY, version 208, and SYNSPEC, version 54. TLUSTY is used to generate model stellar atmospheres or accretion disks, and SYNSPEC produces detailed synthetic…
A two-body gas-phase reaction rate coefficient can be given by the usual Arrhenius-type formula which depends on temperature. The UMIST Database for Astrochemistry is a widely used database for reaction rate coefficients. They provide…
The Hitomi SXS spectrum of the Perseus cluster, with $\sim$5 eV resolution in the 2-9 keV band, offers an unprecedented benchmark of the atomic modeling and database for hot collisional plasmas. It reveals both successes and challenges of…
Integrating datasets from different disciplines is hard because the data are often qualitatively different in meaning, scale, and reliability. When two datasets describe the same entities, many scientific questions can be phrased around…
Atomic and molecular data for the transitions of a number of astrophysically interesting species are summarized, including energy levels, statistical weights, Einstein A-coefficients and collisional rate coefficients. Available collisional…
DL_POLY Quantum 2.1 is introduced here as a highly modular, sustainable, and scalable general-purpose molecular dynamics (MD) simulation software for large-scale long-time MD simulations of condensed phase and interfacial systems with the…
A database is under construction to provide a complete collection of published basic properties of hypernuclei such as {\Lambda} binding energies, lifetimes, or excitation energies. From these values, averages with related errors are…
Simflowny is an open platform which automatically generates efficient parallel code of scientific dynamical models for different simulation frameworks. Here we present major upgrades on this software to support simultaneously a quite…
Clustering in high-dimensional settings with severe feature noise remains challenging, especially when only a small subset of dimensions is informative and the final number of clusters is not specified in advance. In such regimes, partition…
The identification of spectral lines can be a tedious process requiring the interrogation of large spectroscopic databases, but it does lend itself to software algorithms that can determine the characteristics of candidate line…
Purpose: To update and extend the Carleton Laboratory for Radiotherapy Physics (CLRP) Eye Plaque (EP) dosimetry database for low-energy photon-emitting brachytherapy sources using egs_brachy, an open-source EGSnrc application. The previous…
We present the current status of the comparisons with the respective data of the predictions of our approach of exact amplitude-based resummation in quantum field theory as applied to precision QCD calculations as needed for LHC physics,…
One of the most challenging and recurring problems when modelling plasmas is the lack of data on key atomic and molecular reactions that drive plasma processes. Even when there are data for some reactions, complete and validated datasets of…
Spectral clustering requires the time-consuming decomposition of the Laplacian matrix of the similarity graph, thus limiting its applicability to large datasets. To improve the efficiency of spectral clustering, a top-down approach was…
This is a summary of the 2013 release of the plasma simulation code Cloudy. Cloudy models the ionization, chemical, and thermal state of material that may be exposed to an external radiation field or other source of heating, and predicts…
Ordinary differential equation models facilitate the understanding of cellular signal transduction and other biological processes. However, for large and comprehensive models, the computational cost of simulating or calibrating can be…
We present Lifty, a domain-specific language for data-centric applications that manipulate sensitive data. A Lifty programmer annotates the sources of sensitive data with declarative security policies, and the language statically and…
Diagnostic data such as logs and memory dumps from production systems are often shared with development teams to do root cause analysis of system crashes. Invariably such diagnostic data contains sensitive information and sharing it can…
Ab initio quantum chemical methods for accurately computing interactions between molecules have a wide range of applications but are often computationally expensive. Hence, selecting an appropriate method based on accuracy and computational…
Many modern cheminformatics workflows derive datasets from ChEMBL, but few of these datasets are published with accompanying code for their generation. Consequently, their methodologies (e.g., selection, filtering, aggregation) are opaque,…