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Registration is now open.

If you wish to attend XLIC Work Group 1 meeting (to be held in London July 3-4  2014), please, complete the registration form, download the program, discussion points formulated by discussion leaders and submit your abstracts to the organizers.

The deadline for registration is April 10.

The deadline for abstract submission is April 28.

We hope you will share our enthusiasm regarding the meeting. We are looking forward to your contributions!

Olga Smirnova on behalf of all discussion leaders

Update on the format of the XLIC Work Group 1 (Ultrafast electron dynamics in molecules) meeting (to be held in London July 3-4  2014):  It will be similar to Faraday discussions.

By the end of March we will post discussion points formulated by the Discussion leaders, corresponding to the discussion topics outlined below. You will be able to access these materials on-line on the web-pages of COST and the FEL-ATTO conference, co-located with our meeting.

You are very welcome to submit abstracts (about 200 words) responding to the discussion points raised by the discussion leaders. It will help us organize the sessions, giving you the opportunity to express you opinion and e.g. illustrate it with your results.

The abstracts should be sent to

The name of the files should contain the number of the topic and your name, e.g. “3_smirnova.doc” means the contribution by Olga Smirnova to the topic “High harmonic spectroscopy”.

Topic 1: XFEL and X-ray spectroscopy: experiment (Discussion leader: Jon Marangos)
Topic 2: XFEL and X-ray spectroscopy: theory  (Discussion leader: Peter Lambropoulos)
Topic 3:  High harmonic spectroscopy (Discussion leader: Yann Mairesse)
Topic 4: Time-dependent computational methods for multielectron systems in external fields   (Discussion leader: Alejandro Saenz)
Topic 5: Multielectron ionization & coupled electron-nuclear dynamics (Discussion leader:  Agapi Emmanouilidou )

In addition we will have two “Work in groups” sessions:

  • Group 1: TDDFT and applications to attosecond spectroscopy
    Discussion leaders: Francoise Remacle  and Franck Lepine
  • Group2: Electron dynamics in strong IR fields
    Discussion leader: Bernard Piraux

The program of these sessions will be announced separately.

Olga Smirnova on behalf of all discussion leaders

The 1st Meeting of the Working Group 2 of the COST Action CM1204 XLIC took place at the Mercure Omaha beach Hotel situated in Port-en-Bessin, Lower Normandy, France WG2_Meeting-2014_1000x750from 24th to 27th February 2014. This meeting brought together experts from different disciplines (physics, chemistry, experience, theory) to discuss aspects of the stability of highly excited and highly charged molecules in the gas phase and  their reactivity (for example interaction with other molecules and formation of new species through isomerization and/or fragmentation).

The format of the meeting was based on 24 talks (20’) with long discussion time (10’), 2 poster sections (with 23 posters) and free time for discussion. Seven talks were given by young researchers. The number of participants was around 50 persons.

We hope that this Meeting gave the opportunities exchange scientific ideas and results, to initiate new collaborations and to integrate in particular young researchers in the research community.

Alicja Domaracka and Henning Zettergren
The Meeting Chairs

Related links:


Postdoc position in theoretical femtochemistry at the Technical University of Denmark

DTU UK B1 RGBYou are invited to compete for a postdoctoral position in the group of Klaus B. Møller and Niels Engholm Henriksen at the Department of Chemistry, Technical University of Denmark.

Project: The activities in our group are centered around the theoretical description of chemical reactions and other dynamical processes in molecular systems at the femtosecond timescale. You will work on the theory and simulation of time-resolved X-ray scattering, i.e., how snapshots of atomic positions are obtained using ultrashort (femtosecond) pulses of laser light and X-rays.

Qualifications: Qualified candidates hold (or are in the final stages of obtaining) a PhD in theoretical chemistry or physics. Good programming skills and experience with (quantum) molecular dynamics is a must. Successful candidates are highly motivated and have excellent communication skills.

Conditions: The appointment is for 12 to 24 month with a monthly salary of approximately 3000 Euro (after tax).

Qualified candidates should contact Klaus B. Møller ( or Niels Engholm Henriksen ( before 28 March 2014.


The call for abstracts and registration to the International Workshop on Photoionization and Resonant Inelastic X-Ray Scattering (IWP & RIXS 2014) is open from the 10th March 2014.

More informations can be found in the Second Announcement or visiting the Conference web site at:

Structural Dynamics
Co-published by AIP Publishing | ACA
A new open access, peer reviewed journal

•Highlights research articles on structural determination and dynamics of systems, enabled by the emerging new instruments (e.g. XFELs, electron sources, etc.) and new experimental and theoretical methodologies.
•Short communications, topical reviews and regular papers in the following subjects: Molecular Systems, Biological Systems, Solid Materials, Liquids and Solutions, Surfaces and Interfaces  and experimental and theoretical methods.
Why Publish in Structural Dynamics
A premier high-impact journal in Structural  Dynamics through rigorous peer review from senior scientists
Visible and Discoverable
Immediately freely available to read, download, and share upon publication.
Enhanced browsing and semantic searching  through new Scitation thesaurus, which includes 7,500+ terms to ensure your article is noticed.
Measuring Article Influence — Article-level Metrics
The influence of the research is measured and are automatically shown on every article page.
Promoting your article through different media channel from ACA and email marketing via Thomson Reuters, AIP Publishing database.
International prestigious editors:
Editor-in-Chief: Majed Chergui, Ecole Polytechnique Fédérale de Lausanne, Switzerland
Associate Editors:
•Thomas Elsässer, Max-Born-Institute for Nonlinear Optics and Short-Pulse Spectroscopy, Germany
•Franz Pfeiffer, Technische Universität München, Germany
•George N. Phillips, Jr., Rice University, TX, USA
•Gwyn P. Williams, Jefferson Lab , Newport News, VA, USA
•Linda Young, Argonne National Laboratory, IL, USA

The 50th Symposium on Theoretical Chemistry, will take place in Vienna, Austria from September 14-18, 2014.

This year meeting will feature 15 invited speakers, who will present talks spanning from the development of methods in quantum chemistry, in dynamics, or the combination of both, to applications, also for excited states and light-induced processes. Additionally, 24 oral presentations from any field of Theoretical Chemistry will be selected from submissions and posters. Two poster sessions will allow you to interact with theorists from all fields of Theoretical Chemistry. On September 17th, the Hellmann Prize will be awarded to a young theoretical chemist.

We specially encourage young students and postdocs to attend the meeting.
Six poster prizes will be awarded to the best posters from young scientists (<35 years).

Invited speakers:

Irene Burghardt (Goethe University Frankfurt, Germany)
Garnet Chan (Princeton University, USA)
Andreas Dreuw (University of Heidelberg, Germany)
Marcus Elstner (Karlsruhe Institute of Technology, Germany)
Laura Gagliardi (University of Minnesota, USA)
Juergen Gauß (University of Mainz, Germany)
Hardy Gross (Max-Planck-Institut fuer Mikrostrukturphysik, Halle,Germany)
Roland Lindh (Uppsala University, Sweden)
Todd Martinez (University of Stanford, USA)
Benedetta Menucci (University of Pisa, Italy)
Mike A. Robb (Imperial College London, UK)
Peter Saalfrank (University of Potsdam, Germany)
Ivano Tavernelli (École Polytechnique Fédérale de Lausanne, Switzerland)
Walter Thiel (Max-Planck-Institut fuer Kohlenforschung, Mülheim, Germany)
Hans-Joachim Werner (University of Stuttgart, Germany)

The 50th anniversary will be additionally celebrated with two historical lectures. Wilfried Meyer (Kaiserslautern) will highlight the development of Theoretical Chemistry in the last 50 years within the German speaking countries and Klaus Ruedenberg (Iowa) will tell us about the history of Chemistry starting 3000 years ago.

Important dates:

Registration is now open and closes on the 30th of May.

Abstract deadline for oral contributions: 15th June.

Abstract deadline for posters: 15th July.

The registration fee (250 EUR, reduced to 200 EUR for PhD students) includes the book of abstracts, a welcome reception, lunches, coffee breaks, evening food, free drinks during the two poster sessions, and the closing conference dinner in a typical Viennese wine tavern. A number of excursions can also be booked through the registration home page.

The number of participants is limited, so we cordially invite you to register as soon as possible.  A contingent of affordable rooms have been reserved to facilitate housing in Vienna.  September is conference high season and cheap accommodation runs out fast. It is therefore recommended to book early. If you fly with Austrian airlines, a discount of 15% is applied for STC participants.

For further details, check our conference website:

For correspondence, please use the email address:

We are looking forward to seeing  you in Vienna!

Organizer: Leticia González (University of Vienna)
Local organizing team: Edith Steinwidder, Andrea*s Jackie Klaura, Philipp Marquetand, Markus Oppel

The first meeting of the Working Group 3 will take place in Birmingham Apr. 14th – 16th 2014.

The Working group focuses on the control of chemical reactivity using laser light. There will be 5 sessions covering control strategies, strong field control, measuring the evolving system, control in the condensed phase and applications. Contributions from young scientists are encouraged: as a talk or as a poster.

Registration will be open Feb. 15th.

For further details see

The 1st XLIC Work Group 1 (Ultrafast electron dynamics in molecules) meeting will take place on July 3-4, 2014. It will be co-located with the workshop Free Electron Lasers and Attosecond Sources (  at UCL London.

The WG1 meeting will be organized in the format similar to Faraday discussions. The details of the program will follow shortly.

Those participants interested in attending have now the opportunity to reserve inexpensive accommodation in London for the duration of the whole 5 day event. Specifically, single rooms at UCL dorms are currently available for booking either at “Schafer House” for 36.5 pounds per night  or at “Ifor Evans” house for 32.5 pounds per night.

The booking is on first come first serve basis, so try to book your accommodation asap.

If you are interested in this offer, please:
– book your room by sending e-mail to Ms Cherril Fontaine (You will have to pay in advance the full amount)
– Those who are booking for 5 nights (attending the 3 day conference + 2 day WG1 meeting) please send a registration form for a 3-day workshop (it can be downloaded from via e-mail to Prof. Agapi Emmanouilidou

The last step is essential.  Otherwise the 3-day workshop may be overbooked and can not accept more people. The conference fee for the 3-day workshop is 135 pounds.

Title: Development of ab initio approaches for the description of molecular strong field phenomena  (Prof. Piero Decleva)

Research project:

The rapid advances in strong field ionization, either via high power infrared lasers, or at high photon energies with free electron lasers (FELS) and high harmonic generation (HHG), coupled with the availability of ultrashort pulses for pump-probe experiments, makes a strong challenge to theoretical developments to match the experimental results. Such need has lead to the establishment of the European CORINF ITN network, which gathers several top theoreticians in the field. The focus of the research unit in Trieste will be on the first principle description of the basic processes in complex molecules, by time dependent propagation of the initial wavepacket in a suitable basis set. This will entail a large computational development exploiting massive parallel architectures. Initial work within an independent particle approach based on a density functional Hamiltonian has already produced interesting results [1 – 3]. The research program will be centered on the extension of the available methods, building on the extensive experience of the research group in molecular photoionization, and the large scale computer programs developed [4 – 7]. The specific project will concern  the large scale implementation of the static DFT multielectron time propagation algorithms developed in collaboration with the group of Dr. A. Saenz, Humboldt University, Berlin and the further development of wavepacket analysis tools for the calculation of the fully differential electron spectra. The code developed will be applied to the simulation of HHG and photoelectron spectra generated by strong filed ionization in large molecules. Close connection with experimental groups will be maintained for the analysis of current experimental results.

The candidate should have a broad knowledge of Atomic and Molecular Quantum Mechanics and be proficient in Fortran programming.


1. M. Awasthi, Y.V. Vanne, A. Saenz, A. Castro and P. Decleva. “Single-Active-Electron Approximation for Describing Molecules in Ultrashort Laser Pulses and Its Application to Molecular Hydrogen”  Phys. Rev. A, 77 (2008) 063403
2. S. Petretti, Y.V. Vanne, A. Saenz, A. Castro and P. Decleva. “Alignment-Dependent Ionization of N2, O2, and CO2 in Intense Laser Fields”    Phys. Rev. Letters 104 (2010) 223001
3. J. P. Farrell, S. Petretti, J. Forster, B. K. McFarland, L. S. Spector, Y. V. Vanne, P. Decleva, P. H. Bucksbaum, A. Saenz, and M. Guhr. “ Strong _field ionization to multiple electronic states in water“     Phys. Rev. Letters, 107 (2011) 083001
4. H. Bachau, E. Cormier, P. Decleva, J. E. Hansen and F. Martin.  “Applications of B-splines in Atomic and Molecular Physics”,  Reports on Progress in Physics, 64, 1815 (2001).
5. D. Toffoli and P. Decleva. “Strong Oscillations in the nondipole corrections to the photoelectron angular distributions from C60”  Phys. Rev. A  81 (2010) 061201
6. Mauro Stener,Piero Decleva, Masakazu Yamazaki,Jun-ichi Adachi, and Akira Yagishita. “O1s photoionization dynamics in oriented NO2”    J. Chem. Phys, 134 (2011) 184305
7. S. E. Canton, E. Plesiat, J. D. Bozek, B. S. Rude, P. Decleva, and F. Martın. “Direct observation of Cohen-Fano interferences in vibrationally resolved valence-shell  photoionization spectra of H2, N2 and CO”      PNAS, 108 (2011) 7302

Official Announcement (in italian) [D.R. 1318-2013]