QMCChem

QMC=Chem is a massively parallel QMC code.

Input file creation

The QMC=Chem input file can be created using the web interface. Upload a Q5Cost file or an output file from GAMESS, Gaussian or Molpro, and you will download the QMC=Chem input directory.

Papers related to the QMC=Chem code

• Large-scale quantum Monte Carlo electronic structure calculations on the EGEE grid