| ARCHIE Project title: | 20 |
| Project PI: | 204 George Street |
| Department: | 01/02/2021 |
| Address: | 204 George Street, , licensed software, G1 1XW |
| Relevant industrial collaborations: | |
| Existing relevant KTP activities: | |
| Does the PI require to run calculations? | 8 |
| Number of users involved in the project: | 4 years |
| User 1 details: |
qhb16193 |
| Service level requested: | Hosting bespoke software (e.g. image analysis code written in Python) on ARCHIE |
| ARCHIE Project description: | 20 |
| Potential output of the project: |
This project is funded by a UKRI Future Leaders Fellowship. It funds a Chemistry and Computer Vision research and leadership development programme for enhanced research productivity. The research programme will deliver on the Data & Artificial Intelligence ambitions of the UKRI Grand Challenges, as aligned with the EPSRC’s Chemical Reaction Dynamics & Mechanism theme. The programme will be achieved by developing data-rich and non-invasive reaction monitoring techniques to streamline chemical production at all scales at a time when Chemical Manufacturing is investing in digital infrastructure. Outputs will include publications, commercial software, and KE consultancies. |
| Project start date: | 01/02/2021 |
| Duration of the project: | 4 years |
| Total CPU time required (in hours): | 80000 |
| CPU hours required by typical job: | 8 |
| Approximate amount of data created per job (in GB): | Hosting bespoke software (e.g. image analysis code written in Python) on ARCHIE |
| Approximate amount of data created per project: | 20 |
| Funding Agency Grant Reference No: | MR/T043458/1 |
| pFact ID: | 10623 |
| RKES ID: | 191456 |
| Software required for the project: | licensed software |
| Software required to be installed for the project: | Gaussian 09 or Gaussian 16 |
| Experience in using software package 1: | 9 |
| Software required to be installed for the project: | A list of Python library dependencies can be supplied on request. |
| Experience in using software package 2: | 8 |
| Software required to be installed for the project: | |
| Experience in using software package 3: | 1 |
| Training required: | Other |
| Other training required: | Hosting bespoke software (e.g. image analysis code written in Python) on ARCHIE |
| Experience in using HPC: | 9 |