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
Jonathan Tennyson
(2018)
The ExoMol Project: Molecular Opacity Calculations at University College London
in Astronomical Society of the Pacific Conference Series
Tennyson Jonathan
(2021)
ExoMol at 10
in ASTRONOMY & GEOPHYSICS
A Fazliev
(2010)
Computed knowledge base for description of information resources of water spectroscopy
in CEUR Workshop Proceedings
Mašín Z
(2020)
UKRmol+: A suite for modelling electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method
in Computer Physics Communications
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
Brigg W
(2015)
Calculated photoionization cross sections using Quantemol-N
in Japanese Journal of Applied Physics
Song M
(2015)
Cross Sections for Electron Collisions with Methane
in Journal of Physical and Chemical Reference Data
J Brigg W
(2014)
R-matrix calculations of low-energy electron collisions with methane
in Journal of Physics B: Atomic, Molecular and Optical Physics
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 |