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In this manuscript, we will introduce a recently developed program GPView, which can be used for wave function analysis and visualization. The wave function analysis module can calculate and generate 3D cubes for various types of molecular…
Recent advancements in quantum computing have enabled practical use of quantum error detecting and correcting codes. However, current architectures and future proposals of quantum computer design suffer from limited qubit counts,…
We present an open-source database of superconducting quantum device designs that may be used as the starting point for customized devices. Each design can be generated programmatically using the open-source Qiskit Metal package, and…
The MAterials Simulation Toolkit (MAST) is a workflow manager and post-processing tool for ab initio defect and diffusion workflows. MAST codifies research knowledge and best practices for such workflows, and allows for the generation and…
We present VoxelPrompt, an end-to-end image analysis agent that tackles free-form radiological tasks. Given any number of volumetric medical images and a natural language prompt, VoxelPrompt integrates a language model that generates…
PaPy, which stands for parallel pipelines in Python, is a highly flexible framework that enables the construction of robust, scalable workflows for either generating or processing voluminous datasets. A workflow is created from user-written…
Deep Frequency Modulation Interferometry (DFMI) is an emerging laser interferometry technique for high-precision metrology, offering picometer-level displacement measurements and the potential for absolute length determination with…
In the quest to realize a comprehensive EEG signal processing framework, in this paper, we demonstrate a toolbox and graphic user interface, EEGsig, for the full process of EEG signals. Our goal is to provide a comprehensive suite, free and…
Computational Grids are emerging as a platform for next-generation parallel and distributed computing. Large-scale parametric studies and parameter sweep applications find a natural place in the Grid?s distribution model. There is little or…
This paper proposes a visual analytics framework that addresses the complex user interactions required through a command-line interface to run analyses in distributed data analysis systems. The visual analytics framework facilitates the…
Many tools exist for extracting structural and physiochemical descriptors from linear peptides to predict their properties, but similar tools for hydrocarbon-stapled peptides are lacking.Here, we present StaPep, a Python-based toolkit…
xBIT is a tool for performing parameter scans in beyond the Standard Model theories. It's written in Python and fully open source. The main purpose of xBIT is to provide an easy to use tool to help phenomenologists with their daily task:…
While coarse-grained reconfigurable arrays (CGRAs) have emerged as promising programmable accelerator architectures, pipelining applications running on CGRAs is required to ensure high maximum clock frequencies. Current CGRA compilers…
Visual Simultaneous Localization and Mapping (VSLAM) research faces significant challenges due to fragmented toolchains, complex system configurations, and inconsistent evaluation methodologies. To address these issues, we present…
The efficient simulation of quantum systems is a primary motivating factor for developing controllable quantum machines. For addressing systems with underlying bosonic structure, it is advantageous to utilize a naturally bosonic platform.…
We present a program called potfit which generates an effective atomic interaction potential by matching it to a set of reference data computed in first-principles calculations. It thus allows to perform large-scale atomistic simulations of…
The use of applications on computers, smartphones, and tablets has been considerably simplied thanks to interactive and dynamic graphical interfaces coupled with the mouse and touch screens. It is no longer necessary to be a computer…
The PICsIT detector onboard the INTEGRAL satellite was designed to provide information about emission in the soft gamma-ray band for many bright sources. Due to strong and variable instrumental background, only 4 objects have been detected…
Engineers and computational scientists often study the behavior of their simulations by repeated solutions with variations in their parameters, which can be for instance boundary values or initial conditions. Through such simulation…
Recent developments in path integral methodology have significantly reduced the computational expense of including quantum mechanical effects in the nuclear motion in ab initio molecular dynamics simulations. However, the implementation of…