computational-science-resources

A compilation of resources for general computational science It'll tend to be heavily biased towards my work, but hopefully be useful nevertheless.

Materials Science Libraries:

• ABINIT
• Psi4

Finite Element/Multiphysics Libraries:

• libMesh
• FEniCS: Automated PDE solving using finite elements.
• Feel++
• deal.II
• SU2
• Moose
• Elmer
• Kratos
• Advanced Simulation Library
• ngsolve

Eigenvalue Libraries:

• Spectra: HEader-only Arpack-inspired eigenproblem package based on Eigen.
• Arpack-ng

Computational Electromagnetics:

• Meep
• gprMax
• S4
• EMpy

Sparse/Dense Linear Algebra Libraries:

• Armadillo
• Eigen: Header-only linear algebra library using expression templates.
• Elemental
• FLAME
• PetSc
• SuiteSparse

Freely Accessible PDFs:

• Solving PDEs in Python - The FEniCS tutorial Volume 1: ~150 pages.
• Automated Solutions of Differential Equations by the Finite Element Method: ~750 pages.
• A gentle introduction to the Finite Element Method: ~100 pages.
• Finite Difference Computing with Exponential Decay Models: ~250 pages.
• Matrix Computations: ~700 pages.

Notebook Repos:

• Numerical Linear Algebra
• Numerical Methods for PDEs

Programming productivity/safety tools:

• Archer: OpenMP thread sanitizer.

Tutorial Repos:

• MPI Tutorial