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
A E Lynas-Gray
(2018)
Current State of Astrophysical Opacities: A White Paper
in Astronomical Society of the Pacific Conference Series
A Fazliev
(2010)
Computed knowledge base for description of information resources of water spectroscopy
in CEUR Workshop Proceedings
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
Al-Refaie, Ahmed F.
(2015)
ExoMol line lists - VIII. A variationally computed line list for hot formaldehyde
in Monthly Notices of the Royal Astronomical Society
Brigg W
(2015)
Calculated photoionization cross sections using Quantemol-N
in Japanese Journal of Applied Physics
Carr J
(2012)
UKRmol: a low-energy electron- and positron-molecule scattering suite
in The European Physical Journal D
Celiberto R
(2013)
Electron-impact vibrational excitation of vibrationally excited H 2 molecules involving the resonant 2 S g + Rydberg-excited electronic state
in Physical Review A
D A Garcia-Hernandez
(2018)
A New Near-IR C-2 Linelist for an Improved Chemical Analysis of Hydrogen-deficient, Carbon-rich Giants
in Astronomical Society of the Pacific Conference Series
Fujimoto M
(2012)
R-matrix calculations of differential and integral cross sections for low-energy electron collisions with ethanol
in The European Physical Journal D
| 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 | 05/2010 |
| 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 |