Chemistry, Physics and Engineering Simulation
Simulate physical systems and solve engineering problems numerically.
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Sub-topics (7)
Numerical Simulation and ODE Solving
Model systems with differential equations and integrate them numerically.
Finite Element and CFD
Solve PDEs over complex shapes: FEniCSx, scikit-fem, SfePy (FEM); PyFR, Fluidfoam with OpenFOAM (CFD).
Chemistry: RDKit, ASE, PySCF, Cantera and pymatgen
Molecules and cheminformatics (RDKit), atomistic simulation (ASE), quantum chemistry (PySCF), combustion and kinetics (Cantera), materials (pymatgen).
Physics: QuTiP, Qiskit, Cirq, PennyLane and astropy units
Quantum systems (QuTiP), quantum computing SDKs (Qiskit, Cirq, PennyLane), and unit-aware calculations.
Units and Uncertainties: Pint and uncertainties
Carry physical units and measurement uncertainty through calculations.
Electrical Engineering Libraries
pandapower and PyPSA (power systems), python-control (control), scikit-rf (RF networks), PySpice (circuits), lcapy (symbolic circuit analysis).
Mechanical, Optimization and Systems Engineering
Optimise designs and model systems: pymoo (multi-objective), OpenMDAO (NASA's MDO framework), CasADi (optimal control), Pyomo (mathematical programming).
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