We are developing a database of quantum Monte Carlo calculations of the bulk properties of semiconductor materials. Related to this, we
have built automated frameworks for the calculation of semiconductors properties using the high accuracy quantum Monte Carlo methods.
This work is being carried out in collaboration with the National Data Service,
Lucas Wagner (Dept. of Physics, Illinois) and Ray Plante (NIST). It is made possible by a
Blue Waters Petascale Award and an NCSA Faculty Fellowship position awarded to us.
See our NDS project wiki. Access our automated workflow system through the QWalk code on Git.