Wavepacket dynamics for the future: A general purpose HPC-compliant program.
Lead Research Organisation:
University of Sheffield
Department Name: Chemistry
Abstract
Abstracts are not currently available in GtR for all funded research. This is normally because the abstract was not required at the time of proposal submission, but may be because it included sensitive information such as personal details.
Publications
Irving B
(2011)
On multiple adsorptions of hydrogen atoms on graphene
in Physica Scripta
| Description | Developed new software for performing quantum dynamics calculations |
| Exploitation Route | Programme is meant to be general and will be used by other people as well. |
| Sectors | Digital/Communication/Information Technologies (including Software),Education,Other |
| Description | Collaboration with BJI |
| Organisation | Czech Technical University in Prague |
| Department | Electronics and Computer Science |
| Country | Czech Republic |
| Sector | Academic/University |
| PI Contribution | Collaboration with dr. Benjamin J. Irving on the effect of defect on the properties of graphene. |
| Collaborator Contribution | Collaboration with dr. Benjamin J. Irving on the effect of defect on the properties of graphene. |
| Impact | No outcomes yet |
| Start Year | 2014 |
| Description | Collaboration with Prof. K. Giri |
| Organisation | Central University of Punjab |
| Country | India |
| Sector | Academic/University |
| PI Contribution | Intellectual input, generating data and writing publications. |
| Collaborator Contribution | Intellectual input, generating data and writing publications. |
| Impact | Various papers under review. |
| Start Year | 2012 |
| Description | Departmental Seminar at Sussex |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Local |
| Primary Audience | Professional Practitioners |
| Results and Impact | Departmental Seminar at Sussex. Discussion led to work leading up to a new grant application. |
| Year(s) Of Engagement Activity | 2017 |
| Description | Poster Molec 2012 |
| Form Of Engagement Activity | Scientific meeting (conference/symposium etc.) |
| Part Of Official Scheme? | No |
| Type Of Presentation | poster presentation |
| Geographic Reach | International |
| Primary Audience | Other academic audiences (collaborators, peers etc.) |
| Results and Impact | Poster well-attended sparked discussion Further invitations |
| Year(s) Of Engagement Activity | 2012 |
| Description | Poster SASP |
| Form Of Engagement Activity | Scientific meeting (conference/symposium etc.) |
| Part Of Official Scheme? | No |
| Type Of Presentation | poster presentation |
| Geographic Reach | International |
| Primary Audience | Other academic audiences (collaborators, peers etc.) |
| Results and Impact | Poster well-attended sparked discussion Further collaborations enabled. |
| Year(s) Of Engagement Activity | 2012 |
| Description | SASP talk |
| Form Of Engagement Activity | Scientific meeting (conference/symposium etc.) |
| Part Of Official Scheme? | No |
| Type Of Presentation | keynote/invited speaker |
| Geographic Reach | International |
| Primary Audience | Other academic audiences (collaborators, peers etc.) |
| Results and Impact | Talk well-received with many questions afterwards Further requests for collaboration |
| Year(s) Of Engagement Activity | 2012 |
| Description | Talk at Eley symposium |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Postgraduate students |
| Results and Impact | Conference in the honour of the 100th birthday of Prof. Dan Eley on the Eley-Rideal mechanism. An overview of our work was presented and a discussion was had afterwards. |
| Year(s) Of Engagement Activity | 2016 |
| Description | Talk at Faraday Conference |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Talk at the Faraday Conference. Much Discussion afterwards about the presentation. |
| Year(s) Of Engagement Activity | 2017 |
| Description | Talk at Molec 2014 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Postgraduate students |
| Results and Impact | A talk on our research was presented, which lead to quite a few questions and requests for further collaboration |
| Year(s) Of Engagement Activity | 2014 |