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NANOMATERIALS
THEORY INSTITUTE (NTI):
THEORY, MODELING & SIMULATION CAPABILITIES
- NTI Computational Cluster
The NTI maintains a ~12 teraflop Beowulf cluster in support of the capacity-level computing needs of CNMS/NTI users. More information...
- Access
to High-End Capacity Computing Facilities
The NTI has sizable allocation on the National Energy Research Supercomputing Center, NERSC, at Lawrence Berkeley National Laboratory. For users with computationally demanding applications that require these levels of resources (order 1000 processors), the NTI provides users with support to make effective use of the resource and the cycles needed for completion of the project. NTI staff can make available electronic structure codes (such as VASP) that have been optimized to run at scale for users who have a valid license for these codes.
- Access
to Leadership Capability Computing Facilities
NTI staff are competing for large allocations on the leadership-class Supercomputers of the National Center for Computational Sciences. These allocations are intended for high-profile computational nanoscience and materials research that relies on capability computing runs of order 10,000 processors. NTI researchers maintain codes that run effectively at the leadership scale and are available for these high-profile projects.
- Theory/computation/simulation
support for experimental projects
Experimental users
of the CNMS are encouraged to contact
the NTI staff to discuss possible theoretical support
for their projects. These discussions may occur during development
of the experimental user proposal in order to include the
theoretical component in the proposal or may be initiated
after an experimental
project is under way.
- Theory/computation/simulation
support for theoretical projects
NTI users performing theoretical/computational research are encouraged to request related theoretical/computational support for their projects.
- Computational Nanoscience End-station (CNE)
Provides users with the leading edge scientific instrumentation (i.e., modeling software) and expertise to perform scientific research at scale on leadership computing facilities such as NCCS and OLCF. More information...
List of recent publications here.
Capabilities
provided by other CNMS groups
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