Collaborative Computational Project Q - Quantum Dynamics in Atomic, Molecular and Optical Physics

(former title: CCP2: Continuum States of Atoms and Molecules)

CCPQ is a collaborative computational project with the original objectives (as CCP2) of developing theoretical techniques and computer programs to describe collisions between projectiles such as electrons, positrons or photons and atomic or molecular targets. Over the years these objectives have expanded to include atoms and molecules in strong (long-pulse and attosecond) laser fields, low-energy interactions of antihydrogen with small atoms and molecules, cold atoms, Bose-Einstein condensates and optical lattices. The project involves research scientists from UK universities and government laboratories as well as scientists from Germany, Italy, Japan and US. In late 2011, CCP2 was 'reborn' as CCPQ, taking in network activities, code curation and related molecular research such as molecular wavepacket dynamics, ultracold molecule formation and cold chemistry, from CCP6.

The project is directed by a Working Group chaired by Prof. Tania Monteiro, University College London.

If you work in the CCPQ areas of interest and would like to be involved in the Working Group, please contact Prof. Monteiro.

The project is supported by the Atomic and Molecular Physics group at Daresbury Laboratory, which has been providing administrative support for network activities and core computational and scientific support for codes and research, in recent years particularly in the electron collisions and low-energy antimatter areas. This group is also part of the 5-year EPSRC 'UK R-matrix Atomic and Molecular Physics HPC Code Development Project (UK-RAMP) uniting the collisions and multiphoton areas of CCPQ/CCP2 with an overall aim to produce codes for ab initio treatment of general atoms and molecules in laser pulses. With the advent of CCPQ the group's support activities has expanded, including some support for cold atoms and the former CCP6 areas.

CCPQ News: February 2012

A post-doctoral research fellow position, based in the Department of Physics at the University of Strathclyde in Glasgow, is available for up to 3 years to work on theoretical studies of atomic collision processes of particular relevance to astrophysics. Topics include Breit-Pauli R-matrix and distorted-wave electron-impact excitation data for modelling observed emission lines over a wide range of wavelengths, and dielectronic recombination emissivities for studying abundance anomalies in Planetary Nebula. The project is funded by the UK Science & Technology Facilities Council (STFC) and involves a collaboration between the University of Strathclyde, the University of Cambridge and University College London - The Atomic Processes for Astrophysical Plasmas (APAP) Network.

Candidates should have a strong background in theoretical atomic physics, ideally with experience of one of the major collision codes and associated large-scale computations. Candidates should have, or be about to obtain, a Ph.D. in theoretical and computational atomic physics. Salary is commensurate with experience, with that for a new Ph.D. starting at c.£29k. The position is available from April 1.

Informal enquiries can be made now to any of the APAP team with regards to the Science, all other queries to Nigel Badnell: Professor Nigel Badnell, Dr Helen Mason, Professor Pete Storey, Dr Giulio Del Zanna. Links of interest: http://www.phys.strath.ac.uk/, http://www.strath.ac.uk/, http://www.seeglasgow.com/

CCP2 News: May 2011

We are delighted to publicize the new book by Professor P G Burke: R-Matrix Theory of Atomic Collisions (Application to Atomic, Molecular and Optical Processes).

CCP2 News: February 2011

CCP2 is sponsoring the forthcoming workshop Methods and Codes for Atoms and Molecules in Strong Laser Fields, Dublin, 27-30 April 2011, organisers Lampros Nikolopoulos (Dublin City University) and Ken Taylor (Quen's University, Belfast). The workshop is concerned with presentation and discussion of algorithms, numerical methods and computer codes from across Europe enabling calculation of the response of atoms and molecules to intense laser fields from infra-red to x-ray wavelengths. There will be an emphasis on those codes either in hand or under construction designed to efficiently exploit the most powerful supercomputers available to European researchers. The workshop is also supported by COST Action CM0702 "Chemistry with Ultrashort Pulses and Free-Electron Lasers: Looking for Control Strategies Through Exact Computations".

CCP2 News: June 2010

Phys4Entry - Planetary integrated Models: a postdoctoral research associate post is available at UCL Department of Physics and Astronomy

Applications are invited for the above position to work with Prof Jonathan Tennyson as part of a newly funded EU project entitled Phys4Entry - Planetary Entry Integrated Models. The post will be involved in performing electron -- molecule collision calculations using the R-matrix method with a particular focus emphasis collisional excitation of molecules that are important in the Martian atmosphere (CO, CN, CO2).

Informal enquiries can be made to Professor Jonathan Tennyson, Department of Physics and Astronomy, University College London, Gower St, London WC1E 6BT, (telephone: (+44) 20 7679 7155). Further information and the application procedure may be found here.

The closing date for applications is Friday 9 July 2010.

CCP2 News: March 2010

We are pleased to announce the initial release on CCPForge of the UKRmol-in suite of programs. This is the first release of the UK molecular R-matrix inner region codes, part of the EPSRC UK-RAMP Software Development project (UK-RAMP is described on the CCP2 HPC page). A gzipped tar file containing the source code, documentation and test cases (with outputs for reference) can be downloaded. Please note that in order to download this file, one must be registered both on CCPForge and as a user on the UKRmol-in project (details are on the HPC page).

We would like to publicize the forthcoming workshop 'Advances in strong-field and attosecond physics', sponsored by CCP2 and to be held at UCL, 22-25 June 2010. The registration deadline is 15 April 2010.

CCP2 News: December 2009

We would like to publicize the forthcoming UK Workshop on Ultrafast Dynamics to take place at Queen's University, Belfast on 12-13 January 2010. This meeting will provide an opportunity to learn about current ultrafast science research which is taking place in UK Universities and Research Laboratories. The workshop will involve short talks, informal discussions, and brainstorming on quantum dynamics in atoms/molecules from picosecond to attosecond timescales. The purpose of the meeting is to foster greater understanding of these fields and encourage closer co-operation within the UK community. It is the organisers' intention to conclude the meeting with a summary of the common themes that arise and to discuss ways to further develop this field within the UK and internationally.

The meeting is co-sponsored by CCP2. One of the aims of the CCP2 "UK-RAMP" EPSRC Software Development Call project, which commenced for five years in October 2009, is to develop a reliable and future-proof suite of programs to treat ultrafast processes for general atoms and molecules in laser fields.

CCP2 News: May 2009

Post-doctoral Research Associate in Computational Molecular Physics, working with Dr Jimena Gorfinkiel, Department of Physics & Astronomy, The Open University: fixed term contract, 18 months, starting on 1 October 2009, deadline for applications: 22 May 2009. Applications are invited for a postdoctoral position in the Dept of Physics & Astronomy at The Open University. This is an outstanding opportunity to be part of a team comprising researchers from The Open University, Queen's University Belfast, University College London and Daresbury Laboratory at the forefront of developing scientific software to best exploit high performance computing hardware and ensure "better HPC software for future science". The aim of this project is to develop a set of high-quality, atomic and molecular HPC codes to address newly-emerging areas like atto-second science and biological radiation damage phenomena.

The appointee will undertake the re-engineering of the UK polyatomic R-matrix suite using modern programming constructs, extended Fortran 95 and MPI. The overall curation of the codes will be handled by collaborators at Daresbury Laboratory with whom the PDRA is expected to maintain close contact. The suite will be re-designed to run on Linux workstations as well as massively parallel machines. The PDRA will also be involved in the testing, verification and validation of the suite. Applicants should hold a PhD in Physics, Chemistry, Mathematics or a related area, and must have strong skills in software development using Fortran 95, preferably in a parallel environment. A background in Computational Chemistry or Molecular Physics is preferred. Detailed information and how to apply may be found here. If you wish to discuss this post informally, please contact Dr Jimena Gorfinkiel.

CCP2 News: April 2009

We would like to publicize a forthcoming CCP2 meeting on Atoms and Antimatter to be held at UCL, 17-19 June 2009. The workshop will review progress in both theoretical and experimental aspects of positron collision physics and systems involving antihydrogen. It will also be an opportunity to mark the retirement of Edward Armour (former chair of CCP2) and James Walters, two prominent theoreticians in this field.

Among the invited speakers are Edward Armour (Nottingham), Mike Charlton (Swansea), Richard Drachman (NASA Goddard), Gleb Gribakin (QUB), Svante Jonsell (Swansea), Nella Laricchia (UCL), Jonathan Tennyson (UCL), James Walters (QUB). The scientific programme will take place in the Pearson Lecture Theatre, commencing at 10.00 am on Thursday 18 June and concluding during the afternoon of Friday 19 June. Posters are welcome and there will be a conference dinner.

There is no registration fee for the workshop but all participants must register for the conference by 22 May 2009. Full details including accommodation are available at the meeting website.

We would like to continue to publicize the following books.

Astronomical Spectroscopy, an introduction to the atomic and molecular physics of astronomical spectra, author Professor Jonathan Tennyson (2nd edition).

Relativistic Quantum Theory of Atoms and Molecules: Theory and Computation, author Professor I P Grant.

Mathematical and Computational Methods in R-matrix Theory, edited by M Plummer, J D Gorfinkiel and J Tennyson (CCP2, Daresbury Laboratory, UK, 2007). This booklet contains articles contributed by speakers at the succesful 13 - 15 September 2007 UCL Workshop and is available free of charge: please contact Christine Johnston with a clear and complete postal address. Please click here for the contents list. The booklet is also available as a pdf file.

Explicitly Correlated Wavefunctions, edited by E A G Armour, J Franz and J Tennyson (CCP6 on behalf of CCP2, Daresbury Laboratory, UK, 2006). This booklet contains articles contributed by speakers at the succesful 2 - 5 April 2006 Nottingham Workshop and is available free of charge: please contact Christine Johnston with a clear and complete postal address. Please click here for the contents list. The booklet is also available as a pdf file.

CCP2 News Archive 2006-2008

History of CCP2