Jaguar is a high-performance ab initio package for both gas and solution phase simulations.
These experts have registered specific competence on this subject:
|Field||AE FTE||General activities|
|Torben Rasmussen (NSC)||NSC||Computational chemistry||100||Installation and support of computational chemistry software.|
|Akka||HPC2N||capability cluster resource of 54 TFLOPS with infiniband interconnect|
|Beda||C3SE||throughput cluster resource|
|Glenn||C3SE||throughput cluster resource|
License: Requires license.
The software is commercial software