CCPQ/CCP2 News archive

CCPQ News: June 2014

CCPQ is a major sponsor of AttoFEL 2014: Free Electron Lasers and Attosecond Light Sources: portals to ultrfast dynamics AMO systems (30 June – 2 July 2014 at UCL.

Ultra-Short and Intense Laser pulses offer the means to observe, control and probe multi-electron effects during ionization and break-up of strongly-driven atoms and molecules. Moreover, Free Electron Laser facilities is a route to delivering XUV and X-ray pulses with intensities orders of magnitude larger than those provided by conventional synchrotron radiation sources. Ultra-fast and intense X-ray pulses open-up new horizons for probing and controlling the attosecond motion of inner-shell electrons in multi-photon multi-ionization processes.

This conference aims to bring together theorists from the FEL and Attosecond-Strong Field Science communities to discuss and present recent advances in theoretical techniques developed to tackle multi-electron effects in ionization of atoms and molecules. Another goal of this meeting is to draw together theorists and experimentalists in order to identify the most interesting challenges that both communities will face in the future.

CCPQ News: August 2013

The CCPQ Workshop Windsor 2013: Dynamics of Complex Quantum Systems (5-8 August at Cumberland Lodge, Windsor Great Park) brings together UK theory and experimental groups involved in realising, simulating and modelling the dynamics of a variety of complex quantum systems. The meeting is aimed at discussing both new mathematical and computational methods, as well as new experimental applications/phenomena/physics at a level suitable for postgraduate students in the field.

Topics of interest include, but are not limited to: optical lattices, microtraps, coupled-cavity arrays, phase transitions, chaos, coherence and entanglement, interferometry and atom optics, superfluidity, non-equilibrium dynamics, spinor and exotic condensates, quantum information applications, experimental perspectives.This year there will be special sessions on numerical simulation of strongly correlated systems including tensor network methods, environment engineering for quantum computation, cold atoms for quantum simulations and novel architectures for quantum computation and simulation.

CCPQ News: March 2013

CCPQ is supporting both the Institute of Physics Atomic and Molecular Interactions Group Spring Meeting (20-21 March, National University of Ireland, Maynooth, Ireland) and the UK Positron Workshop (27 March, Stranmillis College, Belfast).

CCPQ News: July 2012

Lecturer in the Centre for Theoretical Atomic, Molecular and Optical Physics, School of Mathematics and Physics, Queen’s University Belfast (Ref. 12/102139) At least one and possibly more positions are available within the Centre for Theoretical Atomic, Molecular and Optical Physics (CTAMOP). Successful candidates will be expected to undertake research in either Quantum Information Processing or Strong-Field AMO Physics, and to contribute to teaching in Applied Mathematics and Theoretical Physics. In addition, the successful candidate will be expected to undertake administrative duties as assigned.

Quantum Information Processing Theory. The current activities of the group working on Quantum Technologies in CTAMOP include the investigation of mesoscopic quantumness in open systems (ultracold atoms, quantum spin networks and mechanical systems at the quantum level), quantum control in hybrid systems, quantum thermodynamics and foundations of quantum mechanics, and the theory of quantum correlations. The group, whose current funding includes support from the UK EPSRC, the European Union, the Alexander von Humboldt Stiftung and the Royal Commission for the Exhibition of 1851, has an internationally leading profile and a vast network of collaborations with premier experimental and theoretical teams working in the fields of Quantum Information, Quantum Optics, and (Ultra)Cold Atom Physics.

Theory of Strong-Field Atomic, Molecular and Optical Physics. Present research interests focus on gaining accurate multi-electron solutions of the time-dependent Schroedinger equation for few- and many-electron atoms in intense short-pulse laser fields. World-leading computational codes, developed within CTAMOP, include the HELIUM code for the helium atom in intense light fields, the R-matrix Floquet (RMF) codes for general atoms in long laser pulses and the R-matrix with Time dependence (RMT) code for general atoms in ultra-short light pulses. This ab-initio work effectively and efficiently harnesses the most powerful supercomputers available. This has made possible scientific discovery in advance of laboratory experiment and has led to a record of sustained funding by EPSRC and the European Union.

Candidates must have a Ph.D. in Theoretical Physics or related area and a high-quality publication record within one of the research areas indicated above. Candidates must have the ability to teach Applied Mathematics at all levels in English. It is desired that candidates have research interests which complement or enhance research activities within CTAMOP, and a record of successful grant applications. It is also desired that candidates have experience of teaching within higher education and a PGCHET and/or membership of an appropriate professional and/or teaching body such as the Higher Education Academy. Please indicate in your application for which research area you wish to be considered.

Informal enquiries may be directed to: Dr J F McCann, by e-mail or telephone +44 (0)28 9097 6041. Salary: £32,901-£48,246 per annum (including contribution points). Closing date: 4.00pm on Friday 31 August 2012. A generous start-up package will be available. Anticipated interview date: week commencing 1 October 2012. For further details and to apply, please visit and click on ‘Mathematics and Physics’ on the right-hand side. The lectureship in CTAMOP can be found in the list, reference no. 12/102139. Alternatively contact the Personnel Department, Queen’s University Belfast, BT7 1NN. Telephone (028) 90973044 FAX: (028) 90971040 or by e-mail. The University is committed to equality of opportunity and to selection on merit. It therefore welcomes applications from all sections of society and particularly welcomes applications from people with a disability.

CCPQ News: February 2012

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 BadnellDr Helen MasonProfessor Pete StoreyDr Giulio Del Zanna. Links of interest:

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.

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.

CCP2 News: December 2007

We would like to thank Professor Edward Armour, who is standing down as chair of CCP2, for three years of excellent leadership. We would like to welcome his successor, Professor Tania Monteiro, as the new chair of CCP2.

We would like to announce a new CCP2 publication: 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 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.

CCP2 News: August 2007

Details of speakers and talks are now available for the international CCP2 workshop on Mathematical and Computational Methods in R-matrix Theory at University College London, UK, 13 – 15 September 2007. Theworkshop programme is now available. The workshop follows the QuAMP IV conference at UCL (see also this link).

We would like to publicize a workshop on “Solving the Bogoliubov-de Gennes and Gross-Pitaevskii equations for superconductors, superfluids and BEC” to be held at the Britannia Hotel, Manchester, 28-30 September 2007.

CCP2 News: June 2007

We announce the forthcoming international CCP2 workshop on Mathematical and Computational Methods in R-matrix Theory at University College London, UK, 13 – 15 September 2007. The workshop follows theQuAMP IV conference at UCL (see also this link).

An 18-month Post-Doctoral Research Fellowship is available at Queen’s University Belfast from 1 October 2007 to assist in the development, object-oriented re-engineering, and numerical validation of the Fortran code 2DRMP. Developed at Queen’s University Belfast, this numerical code is intended to enable virtual experiments to be performed on electron collisions with hydrogen and quasi one-electron atoms and ions using high performance computers. For details please click here (closing date: 4.00 pm Friday 22 June 2007).

CCP2 News: May 2007

We would like to publicize an interdisciplinary STFC/UCL meeting on theoretical approaches to the dynamics of many electron systems in strong laser fields to take place at Daresbury Laboratory on 12 June 2007 (to secure lunch, please register by 11.00am, 5 June).

Many congratulations to Stan Scott and Penny Scott (Queen’s University, Belfast), Liviu Ixaru (Horia Hulubei National Institute of Physics and Nuclear Engineering POB MG-6, Bucharest) and Christophe Denis (University Pierre et Marie Curie-Paris 6) on being awarded the UK Research Councils’ HEC Strategy Committee HPC Prize 2006 for machine utilization, for work on the fast computation of Slater integrals. The research was focused on improving a suite of two-dimensional R-matrix propagation programs aimed at creating virtual experiments on HPC and Grid architectures to study electron scattering from H-like atoms and ions at intermediate energies. The resulting algorithms are embodied in a new computational strategy that is more accurate and is between one and two orders of magnitude faster than the original implementation. By further exploiting parallelism on HPCx the resulting implementation is up to 350 times faster than the original and 25 times less costly.

Following the successful April 2006 CCP2 workshop on explicitly correlated wavefunctions, we would like to remind readers that a book of conference proceedings is available. Please contact Christine Johnston ( with a clear and complete postal address for a free copy. Please click here for the contents list. The book is also available as a pdf file.

CCP2 News: January 2007

We are delighted to publicize a new book, Relativistic Quantum Theory of Atoms and Molecules: Theory and Computation, author Professor I P Grant.

CCP2 News: July 2006

An EPSRC-funded Post-Doctoral Research Assistantship is available to work with Dr H van der Hart (Queen’s University, Belfast) for up to 3 years to develop and apply a new parallel computational code based on time-dependent R-matrix theory for the accurate calculation of the response of multi-electron atoms exposed to ultra-fast high-intensity laser pulses. For details please click here.

CCP2 News: June 2006


The DEISA project is a consortium of major national HPC centres which operates an integrated infrastructure over eleven existing national high-end platforms across Europe. UK resource HPCx has recently joined the DEISA supercomputing Grid. DEISA (Distributed European Infrastructure for Supercomputing Applications) is funded by the EU and has access to a large amount of CPU time on these systems – on HPCx, for example, 5% of the total time is reserved for this. All this time is available for researchers to use. You can apply for this time under the DEISA Extreme Computing Initiative (DECI). Under the first call for proposals, projects were accepted with individual CPU requirements of up to several hundreds of thousands of CPU hours. The deadline for the second call is July 15th 2006. This could be a major benefit for researchers in the UK, and HPCx would like to encourage you to take advantage of this opportunity. For details on how to apply see If you would like help or advice in preparing your proposal, please feel free to contact the HPCx Support Team

CCP2 News: May 2006

Following the successful April CCP2 workshop on explicitly correlated wavefunctions, a book of conference proceedings will be available from June 2006. Please contact Christine Johnston ( with a clear and complete postal address for a free copy. Conference attendees and working group members will receive a copy automatically. The book will also appear on this site as a pdf file. Please click here for the contents list.

A PhD studentship is available with Dr Jimena Gorfinkiel (Open University) to study electron interactions with molecules and small molecular clusters. For details please click here.

CCP2 News: January 2006

We announce the forthcoming international CCP2 workshop on explicitly correlated wavefunctions at the University of Nottingham, UK, 2 – 5 April 2006. Please register by 17 March 2006.

We are delighted to publicize a new book, Astronomical Spectroscopy, an introduction to the atomic and molecular physics of astronomical spectra, author Professor Jonathan Tennyson.

Congratulations to Barry Doherty, Jonathan Parker and Professor Ken Taylor (The Queen’s University of Belfast) on winning the UK Research Councils HEC Strategy Committee High Performance Computing Prize in the category of fastest application improvement, for their work on re-engineering the HELIUM code on HPCx.

Best wishes to Professor Cliff Noble following his retirement from Daresbury Laboratory. Professor Noble, now based in New Zealand, will continue to be an active member of CCP2.


Articles by members of the CCP2 Working Group describing meetings within the CCP2 area and ongoing research:

Theoretical problems involving antihydrogen
E.A.G. Armour, Y. Liu and A.C.Todd

Rearrangement scattering treatment of reactions involving a muon or anti-hydrogen

EAG Armour

CCP2 Meeting on High Performance Computing UCL, 7 November 1998

KA Berrington