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.
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.
Organisations
- Queen's University Belfast (Fellow, Lead Research Organisation)
- Curtin University (Collaboration)
- Kennesaw State University (Collaboration)
- Drake University (Collaboration, Project Partner)
- Autonomous University of Madrid (Collaboration)
- The Open University (Collaboration)
- Rollins College (Collaboration)
- National Institute of Standards & Technology (NIST) (Collaboration)
- Ludwig Maximilian University of Munich (LMU Munich) (Collaboration)
- Indiana University Bloomington (Collaboration)
- UNIVERSITY OF BRITISH COLUMBIA (Collaboration)
- National Institute of Standards and Technology (Project Partner)
- Charles University (Project Partner)
- The Open University (Project Partner)
- Software Sustainability Institute (Project Partner)
- UK-AMOR (Project Partner)
- Science and Technology Facilities Council (Project Partner)
People |
ORCID iD |
Andrew Brown (Principal Investigator / Fellow) |
Publications
Hartmann M
(2022)
Core-resonance line-shape analysis of atoms undergoing strong-field ionization
in Journal of Physics B: Atomic, Molecular and Optical Physics
Jiang W
(2023)
Resolving Quantum Interference Black Box through Attosecond Photoionization Spectroscopy
in Physical Review Letters
Jiang W
(2022)
Atomic partial wave meter by attosecond coincidence metrology.
in Nature communications
Roantree L
(2023)
Energy- and angle-resolved spectral phases via semirelativistic ab initio RABBITT simulations
in Physical Review A
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 |