Posted inCompChem CompResouces Computational Chemistry vs Computational Resources Posted by By Manjeet Bhatia 20 March 2023Posted inCompChem, CompResoucesTags: computational calculations, Computational Chemistry Calculations, Computational Chemistry vs Computational Resources, Gaussian, high-performance computer, or NWChem, Quantum ESPRESSO, VASPNo Comments Ab initio calculations, which are quantum mechanical calculations performed without any experimentally determined input, require…