| ARCHIE Project title: | – |
| Project PI: | Joseph Black Building, University of Glasgow |
| Department: | 19/10/2020 |
| Address: | Joseph Black Building, University of Glasgow, , open-source software, G12 8QQ |
| Relevant industrial collaborations: | |
| Existing relevant KTP activities: | |
| Does the PI require to run calculations? | 1 |
| Number of users involved in the project: | 1 year |
| User 1 details: |
Mr Daniel Malcolm, |
| User 2 details: |
Mr Jake Thompson |
| Service level requested: | |
| ARCHIE Project description: | – |
| Potential output of the project: |
Future funding applications, 2 publicatons: Dalton Transactions (RSC), Journal of Computational Chemistry (Wiley) or Inorganic Chemistry (ACS) |
| Project start date: | 19/10/2020 |
| Duration of the project: | 1 year |
| Total CPU time required (in hours): | – |
| CPU hours required by typical job: | 1 |
| Approximate amount of data created per job (in GB): | |
| Approximate amount of data created per project: | – |
| Funding Agency Grant Reference No: | RSC covid Funds |
| pFact ID: | |
| RKES ID: | |
| Software required for the project: | open-source software |
| Software required to be installed for the project: | N/A |
| Experience in using software package 1: | 1 |
| 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, Molecular Dynamics calculations in NAMD, Visualisation in VMD, Scripting languages, Quantum calculations, Matlab |
| Other training required: | |
| Experience in using HPC: | 1 |