UK R-matrix Atomic and Molecular Physics HPC Code Development Project (UK-RAMP)
Lead Research Organisation:
UNIVERSITY COLLEGE LONDON
Department Name: Physics and Astronomy
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
Song M
(2015)
Cross Sections for Electron Collisions with Methane
in Journal of Physical and Chemical Reference Data
Brigg W
(2015)
Calculated photoionization cross sections using Quantemol-N
in Japanese Journal of Applied Physics
Al-Refaie A
(2015)
ExoMol line lists - VIII. A variationally computed line list for hot formaldehyde
in Monthly Notices of the Royal Astronomical Society
M Tessenyi
(2016)
Twinkle - A mission to unravel the story of planets in our Galaxy
in Proceedings of the International Astronautical Congress, IAC
Tennyson J
(2016)
The ab initio calculation of spectra of open shell diatomic molecules
in Journal of Physics B: Atomic, Molecular and Optical Physics
Shuo Huang
(2016)
OPTIMIZING REMOTE PLASMA SOURCES FOR SELECTIVE ETCHING
in 2016 43RD IEEE INTERNATIONAL CONFERENCE ON PLASMA SCIENCE (ICOPS)
Little D
(2017)
TIMEDELn: A programme for the detection and parametrization of overlapping resonances using the time-delay method
in Computer Physics Communications
Al-Refaie A
(2017)
G PU A ccelerated IN tensities MPI (GAIN-MPI): A new method of computing Einstein-A coefficients
in Computer Physics Communications
Al-Refaie A
(2017)
A parallel algorithm for Hamiltonian matrix construction in electron-molecule collision calculations: MPI-SCATCI
in Computer Physics Communications
L Rutkowski
(2017)
Detection of OH and H2O in an atmospheric flame by near-infrared optical frequency comb spectroscopy
in Optics InfoBase Conference Papers
| Description | Project still in progress, Major output so far is an comprehensively updated version of the UK Molecular R-matrix codes (UKRMol). |
| Exploitation Route | The UKRMol codes have been adopted and adapted for commercial purposes by UCL spin-out company Quantemol Ltd. The UKRMol codes are being widely used in academia (at least 20 groups across 8 countries). |
| Sectors | Digital/Communication/Information Technologies (including Software) Electronics Energy |
| URL | http://www.quantemol.com |
| Description | The UKRmol code produced by this grant has been used by UCL spin-out company Quantemol Ltd to drive an enhanced version of their Quantemol-N expert system. |
| First Year Of Impact | 2015 |
| Sector | Digital/Communication/Information Technologies (including Software),Energy,Manufacturing, including Industrial Biotechology |
| Impact Types | Economic |
| Description | EU FP7-SPACE-2009-1 |
| Amount | € 176,000 (EUR) |
| Funding ID | FP7-SPACE-2009-1 242311 |
| Organisation | European Commission |
| Department | Seventh Framework Programme (FP7) |
| Sector | Public |
| Country | European Union (EU) |
| Start | 04/2010 |
| End | 04/2014 |
| Description | Quantemol |
| Organisation | Quantemol Ltd |
| Country | United Kingdom |
| Sector | Private |
| PI Contribution | Collaboration on research topics |
| Collaborator Contribution | money, computer programs, help |
| Impact | Quantemol product development |
| Description | Surface Technology Systems Plc |
| Organisation | Surface Technology Systems Plc |
| Country | United Kingdom |
| Sector | Private |
| Start Year | 2007 |