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 (http://www.ucl.ac.uk/phys/amopp/atto-fel-conference) at UCL London.
PROGRAM: The WG1 meeting will be organized in a format similar to Faraday discussions.
CALL FOR ABSTRACTS (about 200 words) is closed. They should address discussion points raised by the discussion leaders. Submitted abstracts will serve to organize the sessions, promoting discussions on most challenging aspects of ultrafast laser-matter interaction. The deadline for abstract submission was April 28.
The abstracts should be sent to email@example.com. 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: Theory of atoms and molecules under intense short wavelength radiation (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 there will be two “Work in groups” sessions:
- Group 1: TDDFT and applications to attosecond spectroscopy
Discussion leaders: Francoise Remacle and Franck Lepine
- Group 2: Electron dynamics in strong IR fields
Discussion leader: Bernard Piraux
The program for each session/topic can be checked following the links above.
BUDGET ACCOMMODATION: Single rooms at UCL dorms are still available for booking either at “Schafer House” for 36.5 pounds per night or at “Ifor Evans” house for 32.5 pounds per night.
Book your room by sending e-mail to Ms Cherril Fontaine firstname.lastname@example.org
WG1 MEETING REGISTRATION (NEW DEADLINE: April 11th, 2014 at midnight):No more submissions accepted at this time.
First XLIC Training School will take place in Zaragoza, at the premises of Z-CAM (http://www.z-cam.es/). It will be organized in two modules of one week each. Attendees can participate in one or both of them.
- Module 1. March 9-13, 2015
Molecular Excited States (Download tentative program)
- Module 2. March 16-20, 2015
New Computational Methods for Attosecond Molecular Processes (Download tentative program)
TRAINING PROGRAM: Contents of the courses and list of trainers can be checked, for each module, in the documents linked above. Nevertheless, interested participants are encouraged to check for updates on each module webpage .
ACCOMMODATION: Local organizers have arranged accommodation for all registered participants in the same hotels (Apartamentos Los Sitios and Apartamentos Los Girasoles), where apartments (multiple occupancy with individual rooms) with a kitchen area are offered during the duration of the schools (arriving on Sunday and leaving on Friday). Participats attending both modules can also stay in the apartment during the weekend.
If you are interested in this option, please, contact local organisers as soon as possible to confirm booking details. Payment should be done directly by each participant before leaving.
MEALS: Lunches during training days will be covered for all participants. Dinner and breakfast will not be included.
FEES: There are no registration fees.
FINANCIAL SUPPORT: XLIC Action will offer grants to partially cover the participation of young researchers involved in the Action. Each participant will receive a notification with information on the amount granted. of grants and amount will depend on the number of requests for funding.
REGISTRATION is now closed. Participants can check the status of their application at CECAM website (separately for each module), using their CECAM account.
REIMBURSEMENT: Each participant should pay his/her own expenses to the Hotel before leaving. Those participants selected for funding will receive a letter indicating the fixed amount granted. After the event, reimbursement will be done subject to the submission of a payment request form and the effective attendance to the school. No receipts will be asked for.
LOCATION: The activities will take place at the R+D Building (BIFI) in the campus of the University of Zaragoza in the north of the city (ZCAM CONFERENCE BUILDING: Campus Río Ebro – Edificio I+D; C/Mariano Esquillor s/n. 50018 Zaragoza)
HOW TO REACH ZARAGOZA: You can arrive in Zaragoza by plane, train, bus and car. If you come from abroad and you land at either Madrid or Barcelona airports, then the train or the bus are usually the best options for the last part of the trip up to Zaragoza.
- By plane: The airport is situated 9 km from the city. At present, there are regular flights to Frankfurt (weekdays), Rome, London, Milan and Lisbon and domestic flights to Madrid and Barcelona. Connections from the airport to the city are by bus and taxi. You can make a flight search in the web sites of the companies that operate with the Zaragoza airport: Iberia, Air Europa, and Ryanair (low cost company).
- By train: Zaragoza has a new railway station (Estación de Delicias), with a high‐speed connection to Madrid and Barcelona (AVE train). The railway station is at the same place as bus and taxi stops, and car rental services. Zaragoza is also connected by train to other major Spanish cities such as Valencia, Granada, Sevilla and Málaga. Timetable information can be obtained at the Spanish Railway Company web site: Renfe.
- By bus: Zaragoza is connected by bus to the main Spanish cities. You can search the routes and timetables in the web site of the Spanish bus company ALSA.
- By car: Zaragoza has an excellent communication network, and is linked to the North of Spain: through a motor way to Bilbao (A‐68) and Barcelona (A‐2), and the Aragón highway connecting to Madrid (N‐II).
The WG1 Expert Meeting on ‘Frontiers in attosecond theory: from atoms to molecules to solids’’ has been approved by the COST Management Committee. The workshop will take place in Han-sur-Lesse (The Ardennes, Belgium) on April 4-8, 2016, at the Domain des Masures.
The chair of the organizing committee is Prof. Bernard Piraux.
The meeting will cover the following topics:
– hole dynamics in inner/valence shells of atoms/molecules
– ultrafast response to electron removal in solids
– ultrafast dynamics in chiral systems
– theoretical methods for ultrafast dynamics
Vitali Averbukh (Imperial College, London); Jamal Berakdar (Martin-Luether University, Halle), Alexander Galstyan (University Louvain la Neuve), Bernard Pons (CELIA, Bordeaux), Armin Scrinzi (Ludwig-Maximilians-Universität, Munich).
Due to the capacity of the venue, the workshop will be limited to 30 participants. The total cost per person is 309 €, and it includes all meals and accommodation for 5 days.
If you plan to attend the workshop, please fill out this form. The deadline for registration is January 29, 2016. Once the list of participants will be known, you will receive the confirmation of your registration as well as more information about the organization of the workshop
The abstract submission deadline is January 29.
Please send one page abstract to email@example.com and Bernard.Piraux@uclouvain.be.
Please use the following subject line: Ardennes_abstract_name
and indicate in your email the type of the contribution you wish to present: oral or poster.
Abstracts will be reviewed by the program committee, which includes:
Prof. Henri Bachau (CELIA Bordeaux), Prof. Piero Decleva (Università di Trieste), Prof. Lars Madsen (Aarhus University), Prof. Fernando Martin (Universidad Autonoma de Madrid).
The tutorial will be organized in 4 theoretical and 5 practical sessions, the latter taking place in the computer lab. The theoretical sessions will be of 4.5 hours and practical sessions will last 4 hours. The school will comprise 3 didactic blocks.
The first block will have an introductory character and will offer an overview of the field. The following block will focus on mono- and multi-configurational electronic structure methods for the description of excited states. The last block will cover dynamics methodologies. (see description below). The school will end with a comprehensive overview (2 hours) of state-of-the-art applications, limitations, suitabilities, future perspectives and challenges of the different static and dynamical approaches described in the school.
1st Block (6 hours): Overview of modern electronic and vibrational photochemistry. Born-Oppenheimer approximation. Ground and excited potential energy surfaces topology and light-matter interaction. Building bridges between experiment and theory: theoretical approaches to simulate steady state and transient absorption spectra. Excited state deactivation processes.
2nd Block (18 hours): Quantum Chemical Calculations of Excited States: Mono- and Multiconfigurational Methods. CASSCF and RASSCF methods. Choice of the active space. Single vs. state-average calculations. Basis sets considerations. Introducing dynamical correlation: the CASPT2 method. CASPT2 problems and solutions. DFT. Runge-Gross theorems. Linear response TDDFT. Propagation of the electronic density. Spectra calculation. Approximation of xc-functionals. This block includes 3 practical sessions of 4 hours each, comprising introductions to MOLCAS and OCTOPUS codes, simulation of absorption spectra and exploration of the topography of potential energy surfaces (location of stationary points and surface crossings).
3rd Block (14 hours): Wave Packet propagations and semiclassical dynamics. Time-evolution operator, propagation. Relaxation method, filtering method. Interaction with an electric field. Correlation functions, spectra and eigenfunctions. Pump-probe spectroscopy and control, including an introduction to optimal control theory and local control. Born-Oppenheimer and Ehrenfest dynamics. Nonadiabatic dynamics, Tully’s surface hopping. This block includes 2 practical sessions of 4 hours each, introducing quantum and semiclassical dynamics techniques.
The tutorial will cover the fundamentals and the practical use of state-of-the-art codes for the calculation of the electronic structure of bulk solids, surfaces, and defects and impurities in solids. This includes applications in thermodynamical properties, phase transitions, temperature and pressure effects, magnetic and spectroscopic properties, and surface properties including reactivity of and at surfaces. The influence of structural vacancies both in bulk and at surfaces will be addressed as an important topic influencing in a significant way the properties of different materials. The chemical reactivity of surfaces will be the subject of one of the lectures of the course, with a full discussion of different aspects of the modelling of the CO oxidation in a Y-doped TiO2 supported gold nanoparticles catalyst. That is, in summary, the content of the main theoretical and practical sessions, grouped into 8 and 4 subjects, respectively.
(Theo-1) Symmetry (Pablo García Fernández)
Summary of basic concepts. Space groups. Tensor quantities. Crystal strain. Bloch theorem. The symmetry of the wavefunction under periodic boundary conditions.
(Theo-2) Electronic structure. (Cristina Díaz)
Cluster and periodic models. Atomistic models. Kohn-Sham equations and DFT methodologies. Electronic structure calculations. Phonons and crystal searching.
(Theo-3) Thermodynamic properties. (Cristina Díaz)
Static models. Equation of state of solids. Phase transitions. Mechanisms and kinetics of phase transitions. Thermal effects.
(Theo-4) Chemical bonding and microscopic approach. (Julia Contreras)
Topologies of scalar fields in crystals. Electron density, electron localization function and reduced density gradient chemical functions. Chemical origin of compresibility. Chemical bonding reconstruction along a phase transition.
(Theo-5) Ab initio simulation of the structure, thermodynamic properties and reactivity in surfaces. (Antonio Márquez)
Computational models in Surface Science. Structure of surfaces: Tasker’s classification of ionic surfaces. Relaxation, rumpling, and reconstruction of surfaces. Surface energies. Surface defects: O vacancies in metal oxides. Adsorption at surfaces. Case studies: organic molecules and transition metal atoms at oxide surfaces. Reactivity at surfaces: organic molecules at simple surfaces. Role of point defects. Case study: CO oxidation on an oxide supported metal catalyst. Case study: highly correlated metal oxides: the case of ceria.
(Theo-6) Ab initio simulation of magnetic and optical properties, and structural instabilities of solids. (Miguel Moreno)
Introduction: Role of impurities in crystalline solids. Impurities in insulators. Localization. What are the calculations useful for? Substitutional Transition Metal Impurities in insulators: Description of states. Study of Model Systems: interatomic distances and colour. The colour of gemstones containing Cr3+. Static Jahn-Teller effect: description. Static Jahn-Teller effect: experimental evidence. Insight into the Jahn-Teller effect. Off centre motion of impurities: evidence and characteristics. Origin of the off centre distortion. Softening around impurities.
(Theo-7) Magnetic interactions in Molecules and Solids: Basic concepts and Spin Hamiltonians (Coen de Graaf)
Spin Hamiltonians. Effective Hamiltonian theory. Magnetism in condensed matter. Spin waves for ferromagnets. Antiferromagnetic lattices. Electron transport. Quantum Chemical approach to solid state magnetism. Four center interactions in cuprates.
(Theo-8) Magnetic anisotropy, Double exchange and spin wave theory (Coen de Graaf)
Registration for the Ultrafast X-Ray Summer School 2016 is now open. UXSS 2016 will take place during June 12-16 at the PULSE institute at SLAC National Accelerator Laboratory. UXSS 2016 is organized in collaboration with the Center for Free Electron Laser Science (CFEL) at DESY in Hamburg, Germany. The summer school is intended to give a comprehensive introduction to the field of ultrafast x-ray science and free electron lasers. The program, directed towards graduate students and post-docs, is highly interdisciplinary and focuses on the latest developments and opportunities in the field. A limited amount of travel support is available. Students interested to apply are requested to send a brief one-page statement describing their background and research interests. For more information visit:
The 2nd meeting of XLIC WG1 “Ultrafast electron dynamics in molecules” will take place on August 29-30, at the University of Edinburgh. The organizer of the COST WG1 meeting is Dr. Olga Smirnova. The local organizer of the COST WG1 meeting is Dr. Adam Kirrander.
The place for the meeting also allows the COST members to take advantage of the very interesting Faraday Discussions, ‘Ultrafast imaging of photochemical dynamics’ , which will also take place in Edinburgh on August 31-Sept 2, see http://www.rsc.org/ConferencesAndEvents/RSCConferences/FD/Photodynamics-FD2016/index.asp.
If you have not yet taken notice of this Faraday Discussion, please note that the deadline for the Faraday Discussions abstract (poster) submission is June 20.
We have reserved 100 rooms on campus, at the student dorms, for the duration of both the COST and the Faraday Discussions meetings.
To reserve accommodation during the meeting please use the link below: http://www.epay.ed.ac.uk/browse/extra_info.asp?compid=1&modid=2&deptid=24&catid=17&prodid=2265&searchresults=1
On the booking site, if you click on the Package Option tab, you’ll see two room booking options, one for 3 nights at £240 – this is in a nicer room with ensuite bathroom.
This option 2 is a booking for 5 nights (covering both the XLIC and the FD), in less attractive but more affordable rooms with shared bathroom (approx 4-5 rooms per bathroom).
The deadline for room booking is June 1.
Alternative/additional options for accommodation for five days covering both meetings are offered by the FD meeting booking system: http://www.epay.ed.ac.uk/browse/extra_info.asp?compid=1&modid=2&deptid=24&catid=17&prodid=2268&searchresults=1
You can find more options via hotel booking service appointed for the FD : http://www.ellis-salsby.co.uk/forthcoming-events/ultrafast-imaging-of-photochemical-dynamics-faraday-discussion.html
Abstract submission for the WG1 meeting is now open. Submission deadline is June 20.
7 hot topic talks will be selected from all submitted abstracts.
Please send abstracts to: firstname.lastname@example.org and Adam.Kirrander@ed.ac.uk and use the subject line: Edinburgh COST WG1 abstract.
Abstract (poster) submission deadline for the Faraday discussion is June 20.
BRIEF WG1 MEETING PROGRAMME
NEW! Final programme can be downloaded here: 2ndWG1meeting-program
Session 1: “Ultrafast Non-adiabatic dynamics, Surface hopping, solvent effects”.
Discussion leader: V. Engel.
Invited speakers: M. Barbatti, B. Lasorne, F. Santoro
Session 2: “Synchrotrons, ultrafast optical and X-ray absorption spectroscopies”
Discussion leader: V. Averbukh
Invited speakers: O. Travnikova, M.A. Hervé du Penhoat, C. Milne
Session 3: “Time-resolved cluster dynamics”
Discussion leader: T. Fennel
Invited speakers: D. Rolles, M. Krikunova, U. Saalman
Session 4: “Imaging and control of molecular dynamics”
Discussion leader: R. Moshammer
Invited speakers: J. Kuepper, R. Forbes, M. Richter, J. Feist
Session 5: “Multielectron dynamics in external fields: advances in theory”
Discussion leader: E. Suraud
Invited speakers: L. Madsen, A. Scrinzi, H. Bachau, S. Patchkovskii
Session 6: “New trends in attosecond spectroscopy”
Discussion leader: M. Ivanov
Invited speakers: J. Mauritsson, A. Brown, M. Dahlström, F. Lepine
NEW! PRACTICAL INFORMATION
Travel from Edinburgh airport (in order of convenience)
TAXI: Follow signs in the terminal, the taxi rank is located at the bottom of the building across from the terminal. A taxi from the airport to a city centre location should cost about £25-£30 (credit cards are normally accepted, but check with driver).
BUS: Airport busses to the city centre (bus no. 100) are frequent and depart from outside the terminal building. The bus terminates at Waverley Train Station, in the centre of Edinburgh, with a taxi rank close by for onwards travel. A return ticket is £7.50.
TRAM: One can also travel from the airport to the city centre by tram. The trams depart from a station outside the terminal. Make sure to get off at the right stop (for most, this will be the stop closest to Waverly Train Station i.e. St Andrews Square). Note that the tram is slower than the bus. A return ticket is £8.50.
Travel to Pollock Halls, for those who booked the conference accommodation
The easiest way to travel to Pollock Halls is to take the taxi directly from the airport to Pollock Halls. A cheaper alternative is to take an airport bus (see above) to the final stop at Waverley Train Station and then take a taxi to Pollock Halls for approx. £5 (in addition to the airport bus fare).
Please report at the reception at Pollock Halls (open 24/7). The address of the reception is: 18 Holyrood Park Road, EH16 5AY, Edinburgh (note that google maps for some reason places the location marker inside the campus area, when in fact the reception is located near the entrance).
The conference takes place in Lecture Theatre T250 in the Joseph Black Building at the King’s Buildings Campus of University of Edinburgh (see http://www.ed.ac.uk/maps/maps for campus maps). A registration desk inside the entrance of the Joseph Black Building will be open from 08.20 every morning. The address is:
School of Chemistry
Joseph Black Building
King’s Buildings Campus
University of Edinburgh
David Brewster Road
EH9 3FJ Edinburgh
(GOOGLE MAPS: https://goo.gl/maps/GEuDbJod59T2)
For those staying at Pollock Halls, it is a 9 minute taxi ride (approx. £6) or a 26 minute walk (see e.g. Google Maps for directions).
Last but not least, the meeting will occur at the time of the world-famous Edinburgh Theater Festival https://www.edfringe.com/, which many of you might get a chance to enjoy.
Please, complete the form below to register. The registration deadline is June 5.No more submissions accepted at this time.
2nd MOLIM Training School: Advanced technics for molecular spectroscopy and dynamics
The 2nd MOLIM Training School focuses on the recent experimental developments occurred in the field of molecular spectroscopy and reaction dynamics. World-wide experts working in European country will be invited to present the most relevant state-of-the-art techniques and their applications. The trainees will benefit from visits of the brand new laser servers ATTOLAB and CILEX as well as of the synchrotron SOLEIL. By team of 2 to 3 trainees, the students will be involved in a laboratory project hosted in several laboratories of the Paris-Saclay University.
The registration is open to Master students, Ph.D students, post-docs and permanent scientist from all European countries. Affiliation to the COST MOLIM is not required to participate to this school. The school can welcome up to 40 Europeans trainees and 10 more students from Paris region.
The registration deadline is fixed at Feb 24th 2017. Booking of rooms by the Committee will be possible up to Jan. 31st 2017.
Knuth Asmis (Leipzig, D)
Valérie Blanchet (Bordeaux, FR)
Juraj Fedor (Prague, CZ)
Gustavo Garcia (Paris-Saclay, France)
Katharina Kohse-Höinghaus (Bielefeld, D)
Anne Lafosse (ISMO, F)
Franck Lépine (Lyon, FR)
Andrew Orr-Ewing (Bristol, UK)
Katharine Reid (Nothingham, UK)
Claire Vallance (Oxford, UK)
Katalin Varjú (Szeged, HU)
Roland Wester (Innsbruck, AU)
Organizing Comittee :
The International school on “The Frontiers of Attosecond and Ultrafast X-ray Science” will be held from 19th to 28th March 2017 in Erice, Sicily, Italy.
The primary objective of this new school is to educate the next generation of scientists who will impact the future of attosecond and ultrafast x-ray science. We anticipate that the school will meet on a regular basis every two years and become a foundation for the ultrafast community. Consequently, the main topics of the course are the following: (i) attosecond science and technology, devoted to the generation and application of attosecond pulses to the investigation of electronic dynamics in atoms, molecules, nanostructures and condensed phases; (ii) fundamentals, methods and applications of free electron lasers, synchrotron radiation, ion collisions in atomic and molecular science. Lectures will cover current developments in theory and experiments but are also intended to give the basics of the field.
Please note that, PhD students and post-docs willing to attend the school can apply for scholarships (deadline 30 January 2017). For more details see: http://www.erice-attosecond.it/registration
The school co-organised by XLIC COST Action and sponsored by Politecnico di Milano, Italian Ministry of Education and Scientific Research, Sicilian Regional Parliament, ELI-ALPS and Ettore Majorana Foundation and Centre for Scientific Culture.
Louis Di Mauro, Alicja Domaracka, Mauro Nisoli and Sergio Martellucci
Molecular reaction dynamics has become an integral part of modern chemistry and is set to become a cornerstone for much of the natural sciences. Molecular reaction dynamics is the study of elementary processes and the means of probing them, understanding them, and controlling them. It can be applied to reactions in solution and to reactions on surfaces, exploring the elementary steps in catalysis. Nowadays chemistry requires a molecular level understanding of the reactivity. Moreover, chemical kinetics in an old discipline (born in 1850) that deals with the rates of chemical reaction and how these rates depend on factors such as concentration and temperature. Although it in principle presents a macroscopic point of view, this can be directly related with the molecular point of view. Thus, kinetic or dynamic Monte Carlo simulations allow us to bridge the gap of many orders of magnitude in length and time scales between the processes on the molecular scale and the macroscopic kinetics.
The present school is open to European master and PhD students and postdocs with interest to understand chemical reactions at molecular level and to apply the theoretical and computational chemistry to this matter. First-year students of the Erasmus+ Master European in Theoretical Chemistry and Molecular Modelling will attend to this school as a part of their mandatory subjects although second-year students of this Master but from the rest of Europe it is expected that can attend too. Last year (2017) we made by first time this school and it was very successful.
The school will cover the principal aspects of the kinetics and dynamics of chemical reactions, centred mainly in the theoretical and computational approaches, although some experimental techniques will also be explained.
Registration deadline: March 9, 2018
More Information at https://www.cecam.org/workshop-1529.html