Questions tagged [computational-frameworks]
Questions related to computational frameworks, aka software packages or libraries. Can be open or closed source.
What are the main computational frameworks used in materials modeling?
What are the main computational frameworks used in materials modeling? Software packages can include those designed to run on both classical and quantum devices.
What are the types of DMRG?
The following questions have worked out very well 😊 : What are the types of Quantum Monte Carlo? What are the types of SCF? What are the types of MCSCF? What are the types of ab initio Molecular ...
Are there critical mistakes to avoid when creating a workstation (32-128 cores)?
What are practical concerns for creating a workstation that will likely be expanded in the future to have more workstations/nodes? I am interested in running atomistic and quantum mechanical ...