ARCHIE Project title: | 1000 GB |
Project PI: | 75 Montrose Street |
Department: | To be confirmed |
Address: | 75 Montrose Street, , licensed software, G1 1XJ |
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: |
Dr Mozhdeh Mohammadpour |
Service level requested: | |
ARCHIE Project description: | 1000 GB |
Potential output of the project: |
High impact publications, Angewandte Chemie, Crystal Growth and Design, Colloid and Interface Sci |
Project start date: | To be confirmed |
Duration of the project: | 3 years |
Total CPU time required (in hours): | 100000 |
CPU hours required by typical job: | 1 |
Approximate amount of data created per job (in GB): | |
Approximate amount of data created per project: | 1000 GB |
Funding Agency Grant Reference No: | Leverhulme Trust RPG-2019-197 |
pFact ID: | |
RKES ID: | |
Software required for the project: | licensed software |
Software required to be installed for the project: | Gaussian (already installed?) |
Experience in using software package 1: | 7 |
Software required to be installed for the project: | LAMMPS (already installed) |
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 |
Other training required: | |
Experience in using HPC: | 3 |