Project Application Details

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