QWalk is a program developed to perform high accuracy quantum Monte Carlo calculations of electronic structure in molecules and solids. It is specifically designed as a research vehicle for new algorithms and method developments, as well as being able to scale up to large system sizes.
When starting, go in this order.
- Introductory tutorial video
- Try the learning tool (free registration on NanoHUB)
- Code Paper
- Papers citing the QWalk paper
- The user group
The development of the QWalk code has been aided by a number of generous grants. These include: * DOE FG02-12ER46875 * NSF ACI-0904794 and DMR 12-06242 * XSEDE time allocations at TACC and NICS * PRAC award on Blue Waters at NCSA