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Thermal Desktop (TD) is an industry-standard thermal analysis tool used to create and analyze thermal models for landers, rovers, spacecraft, and instrument payloads. Currently, limited software exists to extract and visualize metrics…

The development of fluid-structure interaction (FSI) software involves trade-offs between ease of use, generality, performance, and cost. Typically there are large learning curves when using low-level software to model the interaction of an…

This paper introduces Sparklen, a statistical learning toolkit for Hawkes processes in Python, designed to bring together efficiency and ease of use. The purpose of this package is to provide the Python community with a complete suite of…

Graphite is a unique material for high temperature applications and will likely become increasingly important as we attempt to electrify industrial applications. However, high-quality graphite can be expensive, limiting the…

Fourier transforms are an often necessary component in many computational tasks, and can be computed efficiently through the fast Fourier transform (FFT) algorithm. However, many applications involve an underlying continuous signal, and a…

DADApy is a python software package for analysing and characterising high-dimensional data manifolds. It provides methods for estimating the intrinsic dimension and the probability density, for performing density-based clustering and for…

In recent years, the concept of kirigami has been used in creating deployable structures for various scientific and technological applications. While high-fidelity Finite Element Analysis (FEA) is the standard for analyzing stress…

The (py)LIon package is a set of tools to simulate the classical trajectories of ensembles of ions in electrodynamic traps. Molecular dynamics simulations are performed using LAMMPS, an efficient and feature-rich program. (py)LIon has been…

High entropy ceramics are highly promising as next generation thermal barrier coatings due to their unique disorder structure, which imparts ultra-low thermal conductivity and good high temperature stability. Unlike traditional ceramic…

Time series data are fundamental for a variety of applications, ranging from financial markets to energy systems. Due to their importance, the number and complexity of tools and methods used for time series analysis is constantly…

We present qlbm, a Python software package designed to facilitate the development, simulation, and analysis of Quantum Lattice Boltzmann Methods (QBMs). qlbm is a modular framework that introduces a quantum component abstraction hierarchy…

FEniCS Mechanics is a Python package to facilitate computational mechanics simulations. The Python library dolfin, from the FEniCS Project, is used to formulate and numerically solve the problem in variational form. The general balance laws…

We present a Python extension to the massively parallel HPC simulation toolkit waLBerla. waLBerla is a framework for stencil based algorithms operating on block-structured grids, with the main application field being fluid simulations in…

In this project, we introduce OPESCI-FD, a Python package built on symbolic mathematics to automatically generate Finite Difference models from a high-level description of the model equations. We investigate applying this framework to…

We present PyCDFT, a Python package to compute diabatic states using constrained density functional theory (CDFT). PyCDFT provides an object-oriented, customizable implementation of CDFT, and allows for both single-point…

API Phonons is a Python software package to predict the transport dynamics of heat-carrying phonons. Using the powerful syntax of Python, this package provides modules and functions interfacing between different packages for atomistic…

The open-source python package diffpy.mpdf, part of the DiffPy suite for diffraction and pair distribution function analysis, provides a user-friendly approach for performing magnetic pair distribution function (mPDF) analysis. The package…

In this work we present kiwiPy, a Python library designed to support robust message based communication for high-throughput, big-data, applications while being general enough to be useful wherever high-volumes of messages need to be…

Large databases such as aflowlib.org provide valuable data sources for discovering material trends through machine learning. Although a REST API and query language are available, there is a learning curve associated with the AFLUX language…

In this work, we report the fabrication of a high temperature measurement setup to measure Figure of merit (ZT). This setup facilitates the simultaneous measurement of Seebeck coefficient ({\alpha}), thermal conductivity (\kappa), and…