Equipment
We currently sit on the 7th and 10th Floor of Engineering Science Building on the WVU Evansdale Campus.
The lab has access to the following HPC systems at WVU:
- Spruce Knob - 3,376 core cluster spread over 176 nodes using a shared FDR Infiniband Network
- Thorny Flat - 4,208 core cluster spread over 108 nodes using a shared Intel Omnipath 100Gbps Interconnect
- Dolly Sod - GPU Cluster (deploys in 2023)
The lab also has access to the following External HPC systems:
- NETL Joule - 74,200 core cluster using a shared Intel Omnipath 100Gbps Interconnect
- NSF Funded XSEDE Network of HPC Clusters
The research group has the following solvers.
- COMSOL Multiphysics
- RF Module, Heat Transfer Module, Structural Mechanics Module, Wave Optics Module, Optimization Module, SolidWorks LiveLink, Semiconductor Module, CFD Module, Subsurface Flow Module, Chemical Reaction Engineering Module, Plasma Module, AC/DC Module.
- 3DS BIOVIA Materials Studio and Pipeline Pilot
- Quantum Tools: CANTERA, CASTEP, DMOL3, DFTB+, FlexTS, KINETIC, NMR CASTEP, ONETEP, QMERA, VAMP.
- Classical Tools: Adsoprtion Locator, Amorphous Cell, Blends, Conformers, COMPASS, Forcite, GULP, Sorption.
- Mesoscale Tools: MesoDyn, Mesocite, PhaseField.
- Statistical Tools: QSAR, Synthia.
- Analytical & Crystalization Tools: Morphology, Polymorph Predictor, Motif, Reflex, X-Cell
- ANSYS Multiphysics
- Mechanical Solver, Fluent Fluid Solver, Discovery.