Collaborative Computational Project 2 - Quantum Dynamics in Atomic, Molecular and Optical Physics

(former title: Continuum States of Atoms and Molecules)

CCP2 is a collaborative computational project with the objective of developing theoretical techniques and computer programs to describe collisions between projectiles such as electrons, positrons or photons and atomic or molecular targets. Topics of current interest also include atoms and molecules in strong laser fields, chaos, Bose-Einstein condensates and atom-optics. The project involves research scientists from UK universities and government laboratories as well as scientists from Germany, Italy, Japan and US.

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

If you work in the CCP2 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.

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.

CCP2 News: Winter 2008

We would like to publicize a meeting to take place at Queen's University, Belfast on 15-16 January 2009: 3rd MRS Network Workshop - Numerical Accuracy and Reliability .

The Multi-core Reconfigurable Supercomputing network (MRS) is an EPSRC initiative funded under EPSRC's Digital Economy programme. The aim of MRS is to promote the use of FPGAs, many-core GPUs and other accelerators for scientific computation in a range of application areas within EPSRC's Digital Economy programme.

The 3rd workshop will be on the topic of accuracy and reliability in scientific computation. Through a series of invited talks and hands-on tutorials leading experts will illustrate the pitfalls of numerical computation, describe tools (INTLAB and CADNA) that can be used to assess the accuracy and reliability of existing scientific software, and present techniques to improve the accuracy and reliability of new scientific software. Speakers include: Nick Higham FRS (University of Manchester), Jack Dongarra (University of Tennessee/ORNL), Jean-Marie Chesneaux (LIP6, Paris), Siegfried Rump (Institute for Reliable Computing, Hamburg University of Technology), Mike Giles (University of Oxford) and George Constantinides (Imperial College London). Details are available here.

CCP2 News: February 2008

We would like to publicize a meeting to take place at UCL on 14-15 April 2008: Atoms and Astrophysics: Mike Seaton's Legacy.

Professor Mike Seaton, who died in May last year, was an outstanding atomic and astrophysicist, with wide-ranging research interests. At this meeting, many of his friends, collaborators and students will give talks on subjects relevant to Mike's work. Topics will include quantum defect theory in atoms and molecules, electron-ion scattering theory and computation, nebular astrophysics and stellar opacities.

The meeting will be held in the Department of Physics and Astronomy at University College London, where Mike spent most of his academic career. The meeting will start at 10am on April 14th and end at 4.00pm on April 15th, 2008. The programme will consist mainly of invited talks but there is also some space for contributed talks. Confirmed speakers include: Professor Nigel Badnell, Professor Mike Barlow, Professor Phil Burke, Professor Keith Butler, Dr. Franck Delahaye, Professor Gary Ferland, Professor Chris Greene, Dr. Christian Jungen, Professor Ian Percival. Further information can be found 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.

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 2006-2007

History of CCP2