The International Science at FELs 2014 conference, organised under the auspices of the “Collaboration of European FEL and SPS Facilities”, will take place at the Paul Scherrer Institute in Villigen, Switzerland, from the 15th to the 17th of September 2014. The conference highlights recent science achievements and new developments in the expanding field of free electron lasers. It covers applications in condensed matter research, biology, chemistry, matter under extreme conditions, atomic and molecular systems as well as theory.
Dedicated introductory lectures for students are offered at the start of the conference. To encourage student participation, student grants have been provided by several sponsors (student support application deadline is on the 30th of June 2014).
The European XFEL Users’ Meeting 2015 will be held at DESY Hamburg on 28 – 30 January 2015. The meeting will be organized jointly with the DESY Photon Science Users’ Meeting 2015.
The programme of the meeting and other details, including registration, can be found at www.xfel.eu/2015-users-meeting
We kindly ask you to consider early registration. Please note that the deadline for a poster registration is *15 December 2014*.
We are pleased to announce that we are again able to offer to a limited number of young scientists a financial contribution, depending on distance, towards travel and living expenses. All current PhD students, as well as scientists who obtained their doctoral degree after 1 January 2013 are eligible. We encourage you to forward this information to science graduate students or recent PhD’s who might be interested. Deadline for application is *Thursday, 11 December 2014*.
HOTEL ACCOMMODATION / TOURISM TAX
When booking your hotel accommodation, you should mention that you are a visitor to European XFEL / DESY. Otherwise you might be asked to pay a tourism tax on your hotel bill. A list of hotels can be found on the meeting website.
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 3rd meeting organized in the framework of Working Group 2 of COST Action CM1204 (XUV/X-ray light and fast ions for ultrafast chemistry) will take place in Leiden (Netherlands) from May 11 to 13, 2015. It will be an expert meeting centered on Large Interstellar Molecules: “Energetic Processing of Large Interstellar Molecules”.
Three key questions will be addressed during the workshop:
- Which experimental techniques do we need to develop to probe correlated electronic-vibrational dynamics in photo-activated molecules?
- What is the functional role of non-equilibrium vibrational motion for energy and charge transport as well as energy storage in biomolecules? How are these specific molecular motions “selected”?
- Do we have an appropriate theoretical framework to describe and understand these phenomena? Is the predictive power of the current theories enough to accurately predict dynamics and functionality?
More information can be found on the meeting website: http://www.lorentzcenter.nl/lc/web/2015/725/info.php3?wsid=725&venue=Snellius
The participation of a limited number of XLIC participants and speakers will be supported with the Action budget. Participants entitled for reimbursement should have been informally notified about their status.
By the end of March, all participants will receive an official invitation to the meeting confirming their eligibility status and highligting some of the COST rules for reimbursement which should be carefully examined before incurring any expense in:
- COST Vademecum, page 19-23, and /or
- the instructions on how to fill the Travel Reimbursement Request Form (TRR)
Since the budget allocated for the meeting is limited, it is highly reccomended keeping the claims for meals and accomodation at the actual level of expensiture during the meeting. Nevertheless. in compliance with COST rules, this subsistence expenses will be reimbursed on the basis of flat rates (no need to show invoices). The applicable flat rates for this meeting, as approved by XLIC Management Committee, are 100 EUR for accommodation and 0 EUR for meals.
For travel expenses actual costs can be claimed on the basis of the receipts provided. (Any restriction applying to travel expenses will be notified to each participant entitled for reimbursement)
IMPORTANT: Participants selected for reimbursement are kindly asked to keep their expenses as low as possible to ensure a wide distribution of the Action budget.
The submission of claims shall be done after the meeting, but, for any non-regular expense or doubt you may have, please, better ask in advance (firstname.lastname@example.org). E.g. fligths departure/arrivals from/to places other than where the eligible participant is working/residing, extra meals, nights, taxi expenses, etc. shall not be reimbursed if permission is not requested before the meeting.
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)
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