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CoolProp — an open-source thermophysical property library. Provides high-accuracy equations of state for 122+ fluids including water, refrigerants, and rocket propellants. Available in C++, Python, MATLAB, and 10+ other languages.
OpenFOAM — the leading open-source CFD toolbox. Covers incompressible/compressible flow, combustion, heat transfer, multiphase, and acoustics. Includes meshing utilities (blockMesh, snappyHexMesh) and post-processing with ParaView.
SU2 — an open-source collection of software tools for multiphysics simulation and design. Core solver handles compressible and incompressible flows, aerodynamics, and shape optimization. Widely used in aerospace engineering.
RocketPy — a Python library for simulating sounding rockets and high-power rocketry flights. Models 6-DOF trajectory, parachute deployment, motor performance, and atmospheric conditions. Includes Monte Carlo dispersion analysis.
Cantera — an open-source suite of tools for chemical kinetics, thermodynamics, and transport processes. Simulates combustion, detonations, electrochemistry, and catalysis. Supports detailed and reduced reaction mechanisms.
BOUT++ — a framework for solving differential equations on curvilinear meshes, primarily used for plasma fluid simulations in tokamak edge and scrape-off layer regions. Supports 2D and 3D simulations of plasma turbulence and transport.
PlasmaPy — an open-source Python package for plasma physics. Provides plasma parameter calculations, particle tracking, dispersion relations, and diagnostic analysis tools. The community standard Python library for plasma research.
WarpX — an exascale electromagnetic particle-in-cell (PIC) code for plasma simulations. Developed by DOE/LBNL. GPU-accelerated, supports mesh refinement, and scales to the largest supercomputers. Used for laser-plasma interactions, accelerator design, and astrophysical plasmas.
NekRS — a GPU-accelerated spectral-element CFD solver for thermal-hydraulics simulations. Excels at high-fidelity turbulent flow modeling in nuclear reactor geometries. Built on Nek5000 with OCCA GPU portability layer.
Multiphysics Object-Oriented Simulation Environment — Idaho National Laboratory's finite-element framework for coupled multiphysics problems. Powers BISON (fuel performance), Griffin (reactor physics), and other nuclear simulation codes.
OpenMC — a community-developed Monte Carlo particle transport code for neutron and photon simulations. Used for reactor physics, criticality safety, shielding, and depletion analysis. Supports CAD geometry and multi-group cross sections.
matminer featurization toolkit — computes composition-based and structure-based features for ML models. Includes Magpie descriptors, orbital field matrix, Voronoi-based features, and 50+ featurizers.
Structure format converter powered by pymatgen. Converts between CIF, POSCAR, XYZ, and other crystal structure formats. Handles symmetry, oxidation states, and site properties during conversion.
Robocrystallographer — generates human-readable descriptions of crystal structures using NLP. Automatically analyzes bonding, dimensionality, and structural motifs to produce text summaries.
spglib — C library (with Python bindings) for finding and handling crystal symmetries. Determines space groups, Wyckoff positions, and symmetry operations from atomic coordinates.
