Project Application Details

ARCHIE Project title: 100 MB
Project PI: Joseph Black Building
Department: Aug 2012
Address: Joseph Black Building, , licensed software, G12 8QQ
Relevant industrial collaborations:
Existing relevant KTP activities:
Does the PI require to run calculations? 1
Number of users involved in the project: 6 months
User 1 details:

PI, as above.

Service level requested:
ARCHIE Project description: 100 MB
Potential output of the project:

Publications in leading theoretical/physical chemistry journals. Collaborations with experimental groups working on halogen bonding will also be pursued based on the results of the project.

Project start date: Aug 2012
Duration of the project: 6 months
Total CPU time required (in hours): 20,000
CPU hours required by typical job: 1
Approximate amount of data created per job (in GB):
Approximate amount of data created per project: 100 MB
Funding Agency Grant Reference No:
pFact ID:
RKES ID:
Software required for the project: licensed software
Software required to be installed for the project: MOLPRO (https://www.molpro.net/). The PI holds an academic research group (and developer) licence.
Experience in using software package 1:
Software required to be installed for the project:
Experience in using software package 2: 1
Software required to be installed for the project:
Experience in using software package 3: 1
Training required:
Other training required:
Experience in using HPC: 8