| 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 |