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
(2015)
ExoMol line lists - VIII. A variationally computed line list for hot formaldehyde
in Monthly Notices of the Royal Astronomical Society
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
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
Galiatsatos P
(2012)
Efficient diagonalization of the sparse matrices produced within the framework of the UK R -matrix molecular codes
in Journal of Physics: Conference Series
J Brigg W
(2014)
R-matrix calculations of low-energy electron collisions with methane
in Journal of Physics B: Atomic, Molecular and Optical Physics
Jonathan Tennyson
(2018)
The ExoMol Project: Molecular Opacity Calculations at University College London
in Astronomical Society of the Pacific Conference Series
Kelly Ross E. A.
(2010)
Using a vibrational averaging technique to understand the role of water dimers in atmospheric absorption
in ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
Kelly Ross E. A.
(2010)
Theoretical determined water dimer spectra in the near IR and visible regions in the atmosphere
in ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
L Rutkowski
(2017)
Detection of OH and H2O in an atmospheric flame by near-infrared optical frequency comb spectroscopy
in Optics InfoBase Conference Papers
Laporta V
(2014)
Electron-impact resonant vibrational excitation and dissociation processes involving vibrationally excited N 2 molecules
in Plasma Sources Science and Technology
Little D
(2017)
TIMEDELn: A programme for the detection and parametrization of overlapping resonances using the time-delay method
in Computer Physics Communications
Little D
(2014)
Dissociative recombination of N 2 + : An ab initio study
in Physical Review A
M Doronin
(2012)
"Virtual Atomic and Molecular Data Centre" and Astrophysics: Level 2 Release
in ASTRONOMICAL DATA ANALYSIS SOFTWARE AND SYSTEMS XXI
M Tessenyi
(2017)
TWINKLE - A LOW EARTH ORBIT VISIBLE AND INFRARED EXOPLANET SPECTROSCOPY OBSERVATORY
in Revista Mexicana de Astronomia y Astrofisica: Serie de Conferencias
M Tessenyi
(2016)
Twinkle - A mission to unravel the story of planets in our Galaxy
in Proceedings of the International Astronautical Congress, IAC
M Tessenyi
(2015)
Twinkle -A British space mission to explore faraway worlds
in Proceedings of the International Astronautical Congress, IAC
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
Miller S
(2013)
Cooling by H3(+) emission.
in The journal of physical chemistry. A
P W Lucas
(2012)
A Very Cool, Very Nearby Brown Dwarf Hiding in the Galactic Plane
in 16TH CAMBRIDGE WORKSHOP ON COOL STARS, STELLAR SYSTEMS AND THE SUN
P W Lucas
(2011)
A Very Cool, Very Nearby Brown Dwarf Hiding in the Galactic Plane
in 16TH CAMBRIDGE WORKSHOP ON COOL STARS, STELLAR SYSTEMS AND THE SUN
Polyansky O
(2013)
Calculation of Rotation-Vibration Energy Levels of the Water Molecule with Near-Experimental Accuracy Based on an ab Initio Potential Energy Surface
in The Journal of Physical Chemistry A
Shuo Huang
(2016)
OPTIMIZING REMOTE PLASMA SOURCES FOR SELECTIVE ETCHING
in 2016 43RD IEEE INTERNATIONAL CONFERENCE ON PLASMA SCIENCE (ICOPS)
Song M
(2015)
Cross Sections for Electron Collisions with Methane
in Journal of Physical and Chemical Reference Data
Sousa-Silva C
(2015)
ExoMol line lists - VII. The rotation-vibration spectrum of phosphine up to 1500 K
in Monthly Notices of the Royal Astronomical Society
Tennyson J
(2010)
Electron-molecule collision calculations using the R-matrix method
in Physics Reports
Tennyson J
(2016)
The ab initio calculation of spectra of open shell diatomic molecules
in Journal of Physics B: Atomic, Molecular and Optical Physics
Tennyson Jonathan
(2015)
Molecular line lists of carbon-containing molecules for exoplanets and other hot bodies
in ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
Tennyson Jonathan
(2021)
ExoMol at 10
in ASTRONOMY & GEOPHYSICS
Tennyson Jonathan
(2018)
The ExoMol atlas of cool star and exoplanet molecular opacities
in ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
Yurchenko S
(2014)
ExoMol line lists - IV. The rotation-vibration spectrum of methane up to 1500 K
in Monthly Notices of the Royal Astronomical Society
| 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 |