A Gaussian-basis-set AFQMC code developed by co-PI Zhang's group. It
does total energy calculations in molecules using either phaseless or free-projection AFQMC
approaches, interfacing with NWChem or GAMESS, and recently with the PYSCF code developed
in co-PI Chan's group. Parallelized with MPI-OpenMP hybrid. This code can also be used
for calculations in solids via the downfolding approach currently under development.
A plane-wave pseudopotential AFQMC code developed by co-PI Zhang's
group. It does total energy calculations in periodic systems using either phaseless or freeprojection
AFQMC approaches, interfacing with ABINIT or PWSCF, Parallelized with MPIOpenMP
A software package for constrained path Monte Carlo (CPMC) and AFQMC calculations
in lattice models, developed in co-PI Zhang's group. The code is written in Matlab, to
provide a pedagogical platform and facilitate future code development by users. See 2014
publication list. Can be freely downloaded via CPC website or at http://cpmc-lab.wm.edu/.
Financial support of this project is provided through Scientific Discovery through Advanced Computing (SciDAC) program funded by U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences under award number DE-FG02-12ER46875.