## ABINIT |
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ABINIT is a software suite to calculate the optical, mechanical, vibrational, and other observable properties of materials | ||||||

Tags: electronic structure calculations quantum chemistry physics molecular dynamics mpi
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## ADflow |
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A finite volume RANS solver tailored for gradient-based aerodynamic design optimization | ||||||

Tags: simulation computational fluid dynamics automatic differentiation adjoint structured multiblock overset python hpc cfd mpi
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## CaNS |
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A code for fast, massively-parallel direct numerical simulations (DNS) of canonical flows | ||||||

Tags: fluid dynamics fluid simulation computational fluid dynamics turbulence high performance computing hpc cfd
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## Castro |
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An adaptive mesh, astrophysical radiation hydrodynamics simulation code | ||||||

Tags: adaptive mesh astrophysics radiation hydrodynamics
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## cp2k |
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quantum chemistry and solid state physics software package that can perform atomistic simulations | ||||||

Tags: quantum chemistry physics molecular dynamics metadynamics mpi cuda
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## DFT-D4 |
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A Generally Applicable Atomic-Charge Dependent London Dispersion Correction | ||||||

Tags: dft-d dispersion-correction
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## dftatom |
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Routines for Radial Integration of Dirac, SchrÃ¶dinger, and Poisson Equations | ||||||

Tags: electronic structure calculations atomic
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## DFTB+ |
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DFTB+ general package for performing fast atomistic simulations | ||||||

Tags: tight-binding quantum-mechanics density-functional-theory
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## fds |
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Large-eddy simulation code for low-speed flows, with an emphasis on smoke and heat transport from fires. | ||||||

Tags:
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## fluidity |
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Computational fluid dynamics code with adaptive unstructured mesh capabilities | ||||||

Tags: cfd computational fluid dynamics unstructured
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## freeCappuccino |
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A three-dimensional unstructured finite volume code for fluid flow simulations. | ||||||

Tags: finite volume turbulent turbulence
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## Futility |
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Fortran utilities including unit test harness, arbitrary length strings, parameter list objects, timers, geometry definitions, file wrappers, linear algebra tools, and parallel computing support | ||||||

Tags:
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## HANDE |
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Open source stochastic quantum chemistry | ||||||

Tags: qmc electronic-structure
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## libmbd |
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Many-body dispersion library | ||||||

Tags: dispersion-correction
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## MESA |
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Modules for Experiments in Stellar Astrophysics | ||||||

Tags: stellar astrophysics
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## NASTRAN 95 |
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NASA Structural Analysis System, a finite element analysis program (FEA) completed in the early 1970's | ||||||

Tags: finite element structural eigne stability loads
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## Nek5000 |
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MPI parallel higher-order spectral element CFD solver | ||||||

Tags: cfd computational fluid dynamics spectral element higher order mpi parallel les rans
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## NWChem |
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Open Source High-Performance Computational Chemistry | ||||||

Tags: computational-chemistry parallel-computing electronic-structure-calculations molecular-simulations density-functional-theory hartree-fock quantum-chemistry
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## OFF |
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Finite volume fluid dynamics | ||||||

Tags: godunov riemann euler runge kutta structured
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## OpenMolcas |
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Quantum chemistry software package for multiconfigurational approaches to the electronic structure | ||||||

Tags: electronic-structure casscf caspt2
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## Quantum ESPRESSO |
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Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale | ||||||

Tags: electronic structure calculations quantum chemistry physics molecular dynamics mpi
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## QUIP |
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The QUIP package is a collection of software tools to carry out molecular dynamics simulations. | ||||||

Tags: electronic structure calculations quantum chemistry physics molecular dynamics mpi qm-mm
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## Truchas |
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3D Multiphysics Simulation of Metal Casting and Processing | ||||||

Tags: fluid dynamics metal casting multiphysics hpc
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## Wannier90 |
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The Maximally-Localised Generalised Wannier Functions Code | ||||||

Tags: electronic-structure
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## WHIZARD |
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Particle Physics Monte Carlo Event Generator | ||||||

Tags: particle physics parallel mpi monte carlo optimization sampling integration
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## WRF |
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Weather Research and Forecasting model | ||||||

Tags:
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## xtb |
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Semiempirical Extended Tight-Binding Program Package | ||||||

Tags: quantum-chemistry computational-chemistry atomistic-simulations
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