Virtual Neutron Facility Beta Release 1 Deployed at SNS
The virtual neutron facility web service, vnf beta release 1, has been successfully deployed at ORNL. It is accessible from inside ORNL as https://vnf.sns.gov. This release was also deployed earlier at Caltech. Both can distribute the computational work to machines at Caltech and the performance of the two sites seem similar. The beta release 1 of vnf allows users to:
- Perform Born-von Karman lattice dynamics simulation to obtain phonon density of states and phonon dispersions
- Perform molecular dynamics simulations with the GULP package
- Perform ab-initio Quantumespresso calculations of electronic energies and then obtain forces constants and then phonon DOS and phonon dispersions
- Create virtual samples with coherent phonon scattering kernels using phonon data obtained from simulations
- Perform virtual neutron experiments with virtual samples that include the kernels above (not all are fully implemented)
More details about the release are available on-line as well as more documentation about vnf.
We are working toward the 2nd beta release of vnf scheduled near the end of May.
You can login to the Caltech site and explore using the name and password demo for both. Your comments and feedback are very welcome.
