PARAMOR- Platform And Resource for Atomic, Molecular and Optical Research

Lead Research Organisation: Queen's University Belfast
Department Name: Sch of Mathematics and Physics

Abstract

The field of Atomic, Molecular and Optical (AMO) physics holds the promise of unlocking some of the deepest secrets of the universe. It straddles the gap between the mysterious, quantum world, and the world of chemistry which determines much of our lived experience. While several software tools exist to probe particular niches, there is only a very limited and uncoordinated effort to consolidate these disparate strands of development. In this project I will bring together my expertise in this scientific area with an ever-growing network of researchers therein to assemble a useable, sustainable and impactful toolset for researchers.

The main outcome of the project will be a computational package (PARAMOR) which is accessible to a large number of non-expert users, which may be developed sustainably by the community, and which will consolidate previously disparate development strands into a concerted effort. The package will run the most sophisticated high-performance AMO physics computer codes under the surface and provide a clean and easy-to-use interface to the user for designing and running simulations, and for processing and rendering their outputs.

The main impact will be to inaugurate a vibrant, global user-community of AMO physics codes that reverses the 'normal' tendency for scientific codes to stagnate, or become increasingly specialised, and create a truly sustainable and impactful resource for physics research generally. The current status-quo in AMO computational physics is for very gifted lone developers or small teams to build immensely complex and very capable software, which is practically inaccessible to outsiders. This project will thus act to bridge the gap and allow the potential impact of these separate efforts to be realised, as well as bringing the benefits of modern software development techniques into the AMO physics world.

Publications

10 25 50
 
Title Atomic partial wave meter by attosecond coincidence metrology 
Description all the raw data for the main figures of our literature "Atomic partial wave meter by attosecond coincidence metrology" 
Type Of Material Database/Collection of data 
Year Produced 2022 
Provided To Others? Yes  
Impact Data led to the publication of one associated paper, with one further paper in production, and a continued collaboration with an experimental group 
URL https://zenodo.org/record/6925094
 
Title lhutcheson/ATAS_xenon: 
Description Data and scripts for paper entitled: Core-resonance line-shape analysis of atoms undergoing strong-field ionization. Removed redundant scripts. 
Type Of Material Database/Collection of data 
Year Produced 2022 
Provided To Others? Yes  
Impact Data led to the publication of an associated paper, and further collaborative work with an experimental group 
URL https://zenodo.org/record/6683951
 
Description AMOSgateway 
Organisation Autonomous University of Madrid
Country Spain 
Sector Academic/University 
PI Contribution Provision of data and software for use on the gateway platform, and input to funding applications and reports.
Collaborator Contribution Maintenance, development and promotion of the gateway, the software and its scientific output.
Impact None yet
Start Year 2021
 
Description AMOSgateway 
Organisation Curtin University
Country Australia 
Sector Academic/University 
PI Contribution Provision of data and software for use on the gateway platform, and input to funding applications and reports.
Collaborator Contribution Maintenance, development and promotion of the gateway, the software and its scientific output.
Impact None yet
Start Year 2021
 
Description AMOSgateway 
Organisation Drake University
Country United States 
Sector Academic/University 
PI Contribution Provision of data and software for use on the gateway platform, and input to funding applications and reports.
Collaborator Contribution Maintenance, development and promotion of the gateway, the software and its scientific output.
Impact None yet
Start Year 2021
 
Description AMOSgateway 
Organisation Indiana University Bloomington
Country United States 
Sector Academic/University 
PI Contribution Provision of data and software for use on the gateway platform, and input to funding applications and reports.
Collaborator Contribution Maintenance, development and promotion of the gateway, the software and its scientific output.
Impact None yet
Start Year 2021
 
Description AMOSgateway 
Organisation Kennesaw State University
Country United States 
Sector Academic/University 
PI Contribution Provision of data and software for use on the gateway platform, and input to funding applications and reports.
Collaborator Contribution Maintenance, development and promotion of the gateway, the software and its scientific output.
Impact None yet
Start Year 2021
 
Description AMOSgateway 
Organisation Ludwig Maximilian University of Munich (LMU Munich)
Country Germany 
Sector Academic/University 
PI Contribution Provision of data and software for use on the gateway platform, and input to funding applications and reports.
Collaborator Contribution Maintenance, development and promotion of the gateway, the software and its scientific output.
Impact None yet
Start Year 2021
 
Description AMOSgateway 
Organisation National Institute of Standards & Technology (NIST)
Country United States 
Sector Public 
PI Contribution Provision of data and software for use on the gateway platform, and input to funding applications and reports.
Collaborator Contribution Maintenance, development and promotion of the gateway, the software and its scientific output.
Impact None yet
Start Year 2021
 
Description AMOSgateway 
Organisation Open University
Country United Kingdom 
Sector Academic/University 
PI Contribution Provision of data and software for use on the gateway platform, and input to funding applications and reports.
Collaborator Contribution Maintenance, development and promotion of the gateway, the software and its scientific output.
Impact None yet
Start Year 2021
 
Description AMOSgateway 
Organisation Rollins College
Country United States 
Sector Academic/University 
PI Contribution Provision of data and software for use on the gateway platform, and input to funding applications and reports.
Collaborator Contribution Maintenance, development and promotion of the gateway, the software and its scientific output.
Impact None yet
Start Year 2021
 
Description AMOSgateway 
Organisation University of British Columbia
Country Canada 
Sector Academic/University 
PI Contribution Provision of data and software for use on the gateway platform, and input to funding applications and reports.
Collaborator Contribution Maintenance, development and promotion of the gateway, the software and its scientific output.
Impact None yet
Start Year 2021
 
Description Workshop on Software Carpentry 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach Local
Primary Audience Postgraduate students
Results and Impact Around 25 postgraduate students attended a three-day training workshop exploring sustainable software development practice. The attendees learned how to use modern software development tools and practices which they have subsequently used to support their research, which is mostly in the physical sciences.
Year(s) Of Engagement Activity 2022