Project Application Details

ARCHIE Project title: 1TB
Project PI: Thomas Graham Building 295 Cathedral Street
Department: 17th April 2014
Address: Thomas Graham Building, 295 Cathedral Street, open-source software, G1 1XL
Relevant industrial collaborations:
Existing relevant KTP activities:
Does the PI require to run calculations? 9
Number of users involved in the project: 1 year
User 1 details:

Mr Maksim Misin, maksim.misin@strath.ac.uk, University of Strathclyde, +44 (0) 141 548 4217, PhD student

Service level requested:
ARCHIE Project description: 1TB
Potential output of the project:

Papers in chemical journals (e.g. J. Chem. Theory Comput., J. Comput. Chem., J. Chem. Phys.).
Proof-of-concept for grant applications (e.g. ERC Starting Grant, EPSRC, BBSRC).
Further collaborations with industry.

Project start date: 17th April 2014
Duration of the project: 1 year
Total CPU time required (in hours): 100,000
CPU hours required by typical job: 9
Approximate amount of data created per job (in GB):
Approximate amount of data created per project: 1TB
Funding Agency Grant Reference No:
pFact ID:
RKES ID:
Software required for the project: open-source software
Software required to be installed for the project: AmberTools14 (http://ambermd.org/)
Experience in using software package 1:
Software required to be installed for the project:
Experience in using software package 2: 9
Software required to be installed for the project:
Experience in using software package 3: 1
Training required:
Other training required:
Experience in using HPC: 9