Project Application Details

ARCHIE Project title: 1TB
Project PI: Joseph Black Building, University of Glasgow
Department: June 2022
Address: Joseph Black Building, University of Glasgow, , user supplied code, G12 8QQ
Relevant industrial collaborations:
Existing relevant KTP activities:
Does the PI require to run calculations? 6
Number of users involved in the project: 32 months
User 1 details:

Maria Jose Aliaga Gosalvez

Service level requested:
ARCHIE Project description: 1TB
Potential output of the project:

For the first time, this project suggests that inorganic molecules can be utilized as components for the storage and processing of information. Indeed, our thesis is that molecular metal oxides could open the way for the 1st generation of molecular-based, self-assembled electronic devices with properties appropriate for circuit applications within the next 10 years. The development of these devices to the production of “More than Moore” electronic circuits leading to high-density non-volatile memory, embedded computing devices, photovoltaics, nanoscale sensors, and biological probes could provide a disruptive technology. For example, the modeling package links both molecular synthesis and device fabrication since it will help the different molecular modules to be selected and synthesized for device fabrication. Also, the device fabrication will lead to measurement of single molecules which will help correlate the theory results with experimental data. Further interaction of the molecular and gate modeling groups will be key in understanding how this new molecular-engineering paradigm will develop.

Project start date: June 2022
Duration of the project: 32 months
Total CPU time required (in hours): 750,000
CPU hours required by typical job: 6
Approximate amount of data created per job (in GB):
Approximate amount of data created per project: 1TB
Funding Agency Grant Reference No: EP/V048341/1
pFact ID:
RKES ID:
Software required for the project: user supplied code
Software required to be installed for the project: ADF
Experience in using software package 1: 6
Software required to be installed for the project: Turbomole
Experience in using software package 2: 6
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: 7