What Are Some Examples of Fortran Software Used in Catalysis?
Several Fortran-based software packages are widely used in catalysis research. Some examples include:
GAMESS: A computational chemistry software package used for quantum chemistry calculations and molecular dynamics simulations. VASP: The Vienna Ab-initio Simulation Package, used for atomic scale materials modeling, including electronic structure calculations and quantum-mechanical molecular dynamics. Gaussian: A suite of programs for electronic structure modeling, widely used for studying molecular properties and reactions.
