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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 Steering Panel chaired by Prof. Tania Monteiro, University College London. The Steering Panel with additional UK and international members make up the Working Group.

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: 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

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:,,

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".

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 2006-2010

History of CCP2

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