Related papers: NOMAD CAMELS: Configurable Application for Measure…
Motivated by the need for realistic, dynamically self-consistent, evolving galaxy models that avoid the complexity of full, and zoom-in, cosmological simulations, we have developed NEXUS, an integral framework to create and evolve synthetic…
In this paper, we present NEMO, a system that translates Natural-language descriptions of decision problems into formal Executable Mathematical Optimization implementations, operating collaboratively with users or autonomously. Existing…
Intelligent assistive technologies are increasingly recognized as critical daily-use enablers for people with disabilities and age-related functional decline. Longitudinal studies, curation of quality datasets, live monitoring in activities…
PLUMED is an open-source software package that is widely used for analyzing and enhancing molecular dynamics simulations that works in conjunction with most available molecular dynamics softwares. While the computational cost of PLUMED…
Accurate software energy measurement is critical for optimizing energy, yet existing profilers force a trade-off between measurement accuracy and overhead due to tight coupling with supported specific hardware or languages. We present…
Upgrades to advanced scientific user facilities such as next-generation x-ray light sources, nanoscience centers, and neutron facilities are revolutionizing our understanding of materials across the spectrum of the physical sciences, from…
Detailed detector simulation and reconstruction of physics objects at the LHC are very CPU intensive and hence time consuming due to the high energy and multiplicity of the Monte-Carlo events and the complexity of the detectors. We present…
The ensemble empirical mode decomposition (EEMD) and its complete variant (CEEMDAN) are adaptive, noise-assisted data analysis methods that improve on the ordinary empirical mode decomposition (EMD). All these methods decompose possibly…
The operation of instruments and detectors in laboratory or beamline environments presents a complex challenge, requiring stable operation of multiple concurrent devices, often controlled by separate hardware and software solutions. These…
Public services collect massive volumes of data to fulfill their missions. These data fuel the generation of regional, national, and international statistics across various sectors. However, their immense potential remains largely untapped…
Reliable parameter extraction from experimental data is central to quantitative analysis in spectroscopy, diffraction, photoluminescence, chromatography, microscopy, and time-resolved measurements. We present FitED, a Python-based desktop…
As semiconductor devices scale to new dimensions, the materials and designs become more dependent on atomic details. NEMO5 is a nanoelectronics modeling package designed for comprehending the critical multi-scale, multi-physics phenomena…
A new open source tool for fluid simulation of multi-component plasmas is presented, based on a flexible software design that is applicable to scientific simulations in a wide range of fields. This design enables the same code to be…
Monitoring electricity consumption at the appliance level is crucial for increasing energy efficiency in residential and commercial buildings. Using a single meter, the non-intrusive load monitoring (NILM) breaks down household consumption…
This work introduces a new software package `Sesame' for the numerical computation of classical semiconductor equations. It supports 1 and 2-dimensional systems and provides tools to easily implement extended defects such as grain…
Measuring energy consumption is a challenging task faced by developers when building mobile apps. This paper presents EMaaS: a system that provides reliable energy measurements for mobile applications, without requiring a complex setup. It…
Classical Cellular Automata (CCAs) are a powerful computational framework widely used to model complex systems driven by local interactions. Their simplicity lies in the use of a finite set of states and a uniform local rule, yet this…
We propose a system identification method, Non-Markovian Optimization-based Modeling for Approximate Dynamics with Spatially-homogeneous memory (NOMADS), for identifying linear dynamical systems from a set of multi-dimensional time-series…
relentless is an open-source Python package that enables the optimization of objective functions computed using molecular dynamics simulations. It has a high-level, extensible interface for model parametrization; setting up, running, and…
Computational X-ray absorption near-edge structure (XANES) is widely used to probe local coordination environments, oxidation states, and electronic structure in chemically complex systems. However, the use of computational XANES at scale…