| [Block](https://sanshar.github.io/Block/) | Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry. |
| [COMSOL](https://www.comsol.com) | COMSOL Multiphysics is a general-purpose software platform, based on advanced numerical methods, for modeling and simulating physics-based problems. |
| [cuQuantum](http://phonopy.sourceforge.net/phono3py/index.html) | This software calculates phonon-phonon interaction related properties |
| [DFTB+](https://www.dftb-plus.info) | DFTB+ is a fast and efficient versatile quantum mechanical simulation package. It is based on the Density Functional Tight Binding (DFTB) method, containing almost all of the useful extensions which have been developed for the DFTB framework so far. Using DFTB+ you can carry out quantum mechanical simulations like with ab-initio density functional theory based packages, but in an approximate way gaining typically around two order of magnitude in speed. |
| [DL_MG](https://bitbucket.org/dlmgteam/dl_mg_code_public/src/master/) | DL_MG is a parallel (MPI+OpenMP) 3D geometric high order finite difference multigrid solver for Poisson and Poisson-Boltzmann Equations written in Fortran. |
| [Gaussian](https://gaussian.com/) | Gaussian 16 is the latest in the Gaussian series of programs. It provides state-of-the-art capabilities for electronic structure modeling. Gaussian 16 is licensed for a wide variety of computer systems. All versions of Gaussian 16 contain every scientific/modeling feature, and none imposes any artificial limitations on calculations other than your computing resources and patience. |
