Project Application Details

ARCHIE Project title: 5000
Project PI: Department of Pure and Applied Chemistry 295 Cathedral Street
Department: 01/05/2019
Address: Department of Pure and Applied Chemistry, 295 Cathedral Street, licensed software, G1 1XL
Relevant industrial collaborations:
Existing relevant KTP activities:
Does the PI require to run calculations? 1
Number of users involved in the project: 3 years
User 1 details:

Mr Nathan Knight, nathan.knight@strath.ac.uk, University of Strathclyde, 07590042290, PhD student.

User 2 details:

N/A

User 3 details:

N/A

Service level requested:
ARCHIE Project description: 5000
Potential output of the project:

The potential output of the project would be publications with synthetic methodology work supported with computational chemistry to guide catalyst design and explain trends in the reactions. Target journals may include ACS Catalysis, Advanced Synthesis and Catalysis, Journal of labelled Compounds and Radiopharmaceuticals or similar journals.

Project start date: 01/05/2019
Duration of the project: 3 years
Total CPU time required (in hours): 75000
CPU hours required by typical job: 1
Approximate amount of data created per job (in GB):
Approximate amount of data created per project: 5000
Funding Agency Grant Reference No: N/A
pFact ID: N/A
RKES ID: N/A
Software required for the project: licensed software
Software required to be installed for the project: Guassian 09
Experience in using software package 1: 2
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: Basic Linux, Basic of using HPC
Other training required:
Experience in using HPC: 1