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High-fidelity electron microscopy simulations required for quantitative crystal structure refinements face a fundamental challenge: while physical interactions are well-described theoretically, real-world experimental effects are…
We present the ALPS (Algorithms and Libraries for Physics Simulations) project, an international open source software project to develop libraries and application programs for the simulation of strongly correlated quantum lattice models…
Engineering the software development process in robotics is one of the basic necessities towards industrial-strength service robotic systems. A major challenge is to make the step from code-driven to model-driven systems. This is essential…
We present the W-SLDA Toolkit, a general-purpose software package for simulating ultracold Fermi gases within the framework of density functional theory and its time-dependent extensions. The toolkit enables fully microscopic studies of…
By treating data and models as the source code, Foundation Models (FMs) become a new type of software. Mirroring the concept of software crisis, the increasing complexity of FMs making FM crisis a tangible concern in the coming decade,…
Free Electron Lasers (FELs) are a solution for providing intense, coherent and bright radiation in the hard X-ray regime. Due to the low wall-plug efficiency of FEL facilities, it is crucial and additionally very useful to develop complete…
We present the software design of Gridap, a novel finite element library written exclusively in the Julia programming language, which is being used by several research groups world-wide to simulate complex physical phenomena such as…
Large Language Models for Code (or code LLMs) are increasingly gaining popularity and capabilities, offering a wide array of functionalities such as code completion, code generation, code summarization, test generation, code translation,…
As the core determinant of lithium-ion battery performance, electrode materials play a crucial role in defining the battery's capacity, cycling stability, and durability. During charging and discharging, electrode materials undergo complex…
Automation engineering is the task of integrating, via software, various sensors, actuators, and controls for automating a real-world process. Today, automation engineering is supported by a suite of software tools including integrated…
Software Engineering practitioners work using highly diverse methods and practices, and general theories in software engineering are lacking. One attempt at creating a common ground in the area of software engineering methodologies has been…
OpenEDGAR is an open source Python framework designed to rapidly construct research databases based on the Electronic Data Gathering, Analysis, and Retrieval (EDGAR) system operated by the US Securities and Exchange Commission (SEC).…
Nowadays electrical impedance spectroscopy (EIS) has become an advanced experimental technique with a wide range of applications: from simple passive circuits diagnostics to semiconductor high-end device development and breakthrough…
Physics simulations are widely used to improve the learning process in science and engineering education. Deployment of a computational physics simulation/model is extremely complex given the fact that both knowledge and skills for the…
IoT application development usually involves separate programming at the device side and server side. While separate programming style is sufficient for many simple applications, it is not suitable for many complex applications that involve…
This paper examines aspirational requirements for software addressing mixed-integer optimization problems constrained by the nonlinear Shallow Water partial differential equations (PDEs), motivated by applications such as river-flow…
Physics Engines (PEs) are fundamental software frameworks that simulate physical interactions in applications ranging from entertainment to safety-critical systems. Despite their importance, PEs suffer from physics failures, deviations from…
The concept of the electron localization function (ELF) is extended to two-dimensional (2D) electron systems. We show that the topological properties of the ELF in 2D are considerably simpler than in molecules studied previously. We compute…
The ever-increasing quantity of multivariate process data is driving a need for skilled engineers to analyze, interpret, and build models from such data. Multivariate data analytics relies heavily on linear algebra, optimization, and…
Electronic Design Automation (EDA) tools are software applications used by engineers in the design, development, simulation, and verification of electronic systems and integrated circuits. These tools typically process specifications…