Events

Jan
27
Tue
XFEL Users’ Meeting 2015 @ DESY
Jan 27 – Jan 30 all-day

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

REGISTRATION

We kindly ask you to consider early registration. Please note that the deadline for a poster registration is *15 December 2014*.

BURSARIES

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.

Mar
8
Sun
1st XLIC Training School @ Z-CAM Conference Building
Mar 8 – Mar 19 all-day

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.

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).
Mar
21
Mon
MOLIM WG3 Meeting
Mar 21 – Mar 22 all-day

The first MOLIM WG3 Meeting (CMST COST Action CM1405) “Algorithm Development and High Performance Computing in Chemistry and Physics 2016” will be held on March 21 and 22, 2016 in Bratislava, Slovakia.

This two-day meeting is aimed at bringing together theoretical and experimental researchers working in high-profile algorithms and high-performance computing to treat efficiently the nuclear motions in molecular systems and at molecule/surface interfaces. The meeting is organized within the COST Action CM1405 “Molecules in Motion” (MOLIM) led by Prof. Attila G. Császár (Action Chair) and Prof. Majdi Hochlaf (Action Vice-Chair). The action’s website is http://cost-molim.eu.

The number of participants is limited to 50 and the early deadline for registration is November 30, 2015.

The invited speakers include:

Chiara Cappelli, Scuola Normale Superiore di Pisa, Italy Klaus von Haeften, University of Leicester, United Kingdom Lauri Halonen, University of Helsinki, Finland Shimshon Kallush, The Hebrew University, Israel Kari Laasonen, Aalto University, Finland Vincent Liegeois, Université de Namur, Belgium Jorge M. C. Marques, Universidade de Coimbra, Portugal Hans-Dieter Meyer, Universität Heidelberg, Germany Alexander O. Mitrushchenkov, Université Paris-Est Marne-la-Vallée, France Antonio Sarsa, Universidad de Cordoba, Spain Nathalie Vaeck, Université Libre de Bruxelles, Belgium Graham Worth, University of Birmingham, United Kingdom

Detailed information can be found at http://web4.umb.sk/molim2016.

Enquiries about the meeting can be directed to the conference e-mail address (molim2016@umb.sk) or to one of the organizers: Miroslav Medveď (Meeting Chair, Miroslav.Medved@umb.sk), Philippe Carbonniere (Philippe.Carbonniere@univ-pau.fr), María Pilar de Lara-Castells (Pilar.deLara.Castells@csic.es), Miroslav Melicherčík (Miroslav.Melichercik@umb.sk)

 

Apr
18
Mon
Static and Dynamic methods for the study of photoinitiated processes @ CECAM-ES (ZCAM)
Apr 18 – Apr 22 all-day
Static and Dynamic methods for the study of photoinitiated processes @ CECAM-ES (ZCAM) | Zaragoza | Aragón | Spain

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.

Registration: http://www.cecam.org/workshop-6-1316.html

Apr
25
Mon
Theoretical Solid State Chemistry: theory, modelling, and simulation @ CECAM-ES (ZCAM)
Apr 25 – Apr 29 all-day
Theoretical Solid State Chemistry: theory, modelling, and simulation @ CECAM-ES (ZCAM) | Zaragoza | Aragón | Spain

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: http://www.cecam.org/workshop-6-1308.html

Aug
31
Wed
Faraday Discussions on ‘Ultrafast imaging of photochemical dynamics’
Aug 31 – Sep 2 all-day

Photochemical reactions have tremendous scientific importance, ranging from photosynthesis to atmospheric reactions, and technologies such as sensors or displays. Due to the intrinsic complexity of photochemical reactions, they remain the least understood type of chemical process. Nonadiabatic dynamics, ultrafast time-scales, quantum effects and conical intersections are known to be important, but a detailed comprehension remains elusive. However, new experimental techniques capable of monitoring photochemical processes in unprecedented detail are appearing. This includes the development of intense-laser techniques, the construction of free-electron lasers such as the XFEL in Europe and the LCLS in the USA, new sources of pulsed electrons, advanced detection techniques, and important advances in theoretical modelling of quantum dynamics. Many of these techniques are developed by research communities not traditionally concerned with photochemistry, but provide an opportunity to shed new light on photochemical dynamics.

The themes for the meeting are:

Electronic and non-adiabatic dynamics
Attosecond processes and X-ray spectroscopy
Structural dynamics
Vibrational and condensed phase dynamics

Deadline for abstract submission: Dec. 14, 2015

Confirmed speakers include:
Prof. Dan Neumark (Berkeley), Prof. Dwayne Miller (Hamburg), Prof. Fernando Martin (Madrid), Prof. Shaul Mukamel (Irvine), Prof. Albert Stolow (Ottawa), Dr. Yann Mairesse (Bordeaux), Dr. Mike Minitti (SLAC), Prof. Artem Rudenko (Kansas), Prof. Andrew Orr-Ewing (Bristol), Dr. Junko Yano (Lawrence-Berkeley)

A full research paper containing new unpublished results always accompanies oral presentations at Faraday Discussions. The oral/paper abstract should outline current research in progress. Authors of the selected abstracts must then submit a full research paper with a significant amount of new, unpublished work by 11 April 2016. The research papers and a record of the discussion are published in the journal Faraday Discussions (Impact factor 4.606).

If you are not familiar with the format of Faraday Discussions we suggest you visit the conference website (http://tinyurl.com/ouqlfqj). We look forward to your submissions.

Best regards,
Adam Kirrander and Russell Minns on behalf of the Scientific Committee (Jon Marangos, Nina Rohringer, Olga Smirnova, and Peter Weber)

Mar
19
Sun
2nd XLIC Training School, Erice (IT) @ ETTORE MAJORANA FOUNDATION AND CENTRE FOR SCIENTIFIC CULTURE
Mar 19 – Mar 28 all-day
2nd XLIC Training School, Erice (IT) @ ETTORE MAJORANA FOUNDATION AND CENTRE FOR SCIENTIFIC CULTURE | Erice | Sicilia | Italy

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.

The organizers,

Louis Di Mauro, Alicja Domaracka, Mauro Nisoli and  Sergio Martellucci

Sep
12
Tue
IBER2017
Sep 12 – Sep 14 all-day

The next Joint Iberian Meeting on Atomic and Molecular Physics IBER 2017 will take place in Barcelona, Spain from September 12 to 14, 2017.

IBER is the biannual conference organised jointly by the Atomic and Molecular Physics Specialised Group (GEFAM) of the Spanish Royal Society of Physics and the Portuguese Society of Physics.

The main purpose of this series of IBER conferences is to bring together scientists of Iberian community dedicated to Atomic and Molecular Physics and related areas of to facilitate the interaction and exchange of knowledge between their research groups. Researchers and scientists from all over Europe and the world are invited to attend this conference and share knowledge. The conference will be structured in three days with plenary lectures, invited lectures, oral presentations and a poster session.

For detailed information and registration please visit:

http://iber2017.com

Specific topics of IBER include:

  • Quantum Physics and Chemistry
  • Experimental Techniques and Applied Physics
  • Atomic and Molecular Spectroscopy and Structure
  • Biomolecules and Biophysics
  • Clusters, Nanoparticles
  • Surfaces and Condensed Phases
  • Dynamical Studies of Elementary Processes
  • Femtochemistry and Laser Control

List of Confirmed Speakers

M. Alcamí, U. Autónoma de Madrid (Spain)
V. Aquilanti, U. de Perugia (Italy)
A. Bergeat, U. de Bordeaux (France)
F. Calegari, U. of Hamburg (Germany)
M.L. Carvalho, U. Nova Lisboa (Portugal)
D. Clary, Oxford University (UK)
B. Costa Cabral, U. Lisboa (Portugal)
L.M. Frutos, U. de Alcalá de Henares (Spain)
P. García Jambrina, U. Complutense de Madrid (Spain)
P. Jönsson, Malmö högskola, Malmö (Sweden)
U. Manthe. Universität Bielfeld (Germany)
T. Martinez, Stanford University (USA)
B. Maté, Consejo Superior de Investigaciones Científicas (Spain)
E. Narevicius, Weizmann Institute (Israel)
J. A. Paixão, U. de Coimbra, (Portugal)
M. J. Ramos, U. de Porto (Portugal)
O. Roncero, Consejo Superior de Investigaciones Científicas (Spain)
D. Shalashilin, U. of Leeds (UK)
S. Willitchs, U. Basel (Switzerland)

Registration is now open. The deadline for early-bird registration is July 6th while abstract submission will be open until June 9th. Please  mark your calendars.
Approximately 10-12 contributions will be selected for oral communications. The participation of young researchers and students is particularly welcome.

We looking forward to welcoming in Barcelona!

With best regards

The Organising Committee at Universitat de Barcelona,
Antonio Aguilar Navarro (Chairman)
Margarita Albertí Wirsing
Miguel González Pérez
Fermín Huarte-Larrañaga (Secretary)
Estefanía López Marne
Josep Maria Lucas

 

Departament de Ciència de Materials i Química Física
Secció de Química Física
Institut de Química Teòrica i Computacional de la UB (IQTCUB)
Universitat de Barcelona

May
7
Mon
CECAM School: Theoretical Solid State Chemistry: theory, modelling, and simulation @ CECAM HQ
May 7 – May 11 all-day
CECAM School: Theoretical Solid State Chemistry: theory, modelling, and simulation @ CECAM HQ | Lausanne | Vaud | Switzerland

Although computer simulation of the electronic structure and properties of solids began decades ago, only recently the solid state methodologies have become sufficiently reliable that their application has resulted in an increasingly important impact on solid state chemistry and physics. , While a large number of course and tutorials already exists, they are mainly focused on audiences with strong background on solid state physics, and usually devoted to some particular electronic structure code. Far more unusual are the courses designed to teach the solid-state techniques to chemists, thus contributing to eliminate the cultural barriers that still exist between both groups. This school is primarily targeted to PhD students and post docs who are interested or are starting to learning about the application theory methods and techniques to the study of the physics and chemistry of the solid state.

The level of this tutorial corresponds to master or doctorate students in areas of physics and chemistry. After two initial days where the fundamentals of theory of the treatment of the electronic structure of solids will be presented to the students, the remaining of the tutorial will be devoted to the examination of specific and hot areas like characterization of chemical bonding in solids and relationship to macroscopic properties, structure and reactivity at solid surfaces, including layered systems and highly correlated oxides, and magnetic properties. The afternoons will be dedicated to practical hand-on tutorials. Several computational codes are actively being developed, capable of simulating molecules, pure and defective crystals, surface and transport properties, and reactive processes in the bulk and interfaces. Getting familiar with the different codes and their possibilities requires an adequate training that merges theory and practice in substantial amounts.

More info at: https://www.cecam.org/workshop-1553.html

Jul
2
Mon
CECAM workshop: Non-adiabatic quantum dynamics: From Theory to Experiments @ CECAM HQ
Jul 2 – Jul 6 all-day

The CECAM workshop entitled ‘Non-adiabatic quantum dynamics: From Theory to Experiments’ (https://www.cecam.org/workshop-0-1638.html) will be held at CECAM HQ in Lausanne, Switzerland from 2nd-6th July 2018.

This workshop aims to consolidate the rapid development in the field of molecular quantum dynamics and increase the synergy between experimentalists and theoreticians in this area. The program features a number of invited presentations from leading theoreticians and experimentalists and will be supplemented by a number of talks selected from submitted abstracts.

We are looking forward to welcoming you to Lausanne.

Tom Penfold on behalf of all of the co-organisers.