The XLIC WG1&WG2 Expert Meeting “From Ultrafast to Ultraslow Dynamics in Molecules and Clusters” will be held in the Weizmann Institute of Science Israel , from 23th to 25th January 2017.The Meeting is jointly organized by the Local organizing committee, the team of the conference unit of the Weizmann Institute and COST CM1204 Action (XLIC).
The workshop participation is open to everybody.
Scope and Program of the Meeting
Dynamical processes in molecular and cluster systems play an important role in different disciplines of research including atmospheric and interstellar chemistry, biology, nano-science and more. It is appealing to classify different types of dynamics according to their time scale – from attosecond electronic dynamics, femtosecond and picosecond ro-vibrational motion up to typical nanosecond times of spontaneous radiative processes. However, even in small clusters and biomolecules, coupling of many degree’s of freedom can lead to ultra-slow dynamics extending up to millisecond times.
In recent years, experimental techniques for studying these different dynamics have considerably advanced – from the development of ultrafast light sources, including high-order harmonic generation and free electron laser X-ray facilities, as well as highly controlled ion traps and ion storage rings that allow following a slow evolving time evolution of isolated molecular and cluster ions. On the theoretical side, quantum mechanical calculations provide insight regarding short time scales, while statistical models can describe long time dynamics on the ensemble level.
These communities have developed in parallel and often with little interaction with each-other. The goal of this workshop will be to bridge the gap between the different communities towards a full understanding of molecular and cluster dynamics. For example, it will be valuable to understand the role of initial ultrafast electronic and vibrational rearrangement of an isolated system on its slow decay by statistical fragmentation. Does ultrafast dynamics leading to internal conversion influence delayed recurrent fluorescence events? What is the importance of the coherent vibrational motion for long term processes and spectroscopic probes of isolated interstellar environments or biomolecular systems?
We aim at achieving this goal by bringing together leading experts from the different fields: including atto-second science, femto-chemistry, action spectroscopy, ion storage devices, time-dependent quantum mechanics and statistical physics – in order to promote a common language and shared goals. In particular, participants will be asked to highlight the scientific goals and challenges of each field to promote collaborative efforts. We hope that this conference will generate long term collaborations that will advance our understanding of molecular and cluster science across the different time scales.
Abstract Submission Deadline: November 1st, 2016
Registration Deadline: January 5th, 2017
List of invited speakers
Noam Agmon, Hebrew University, Israel
Lars H. Andersen, Aarhus University, Denmark
Itzik Ben-Itzhak, Kansas State University, USA
Valerie Blanchet, CELIA, Bordeaux, France
Anastasia Bochenkova, Moscow State University, Russia
Steen Brondsted Nielsen, Aarhus University, Denmark
Philip Bucksbaum, Stanford, USA
Francesca Calegari, Politecnico Milano, Italy
Lorenz Cederbaum, University of Heidelberg, Germany
Henrik Cederquist, Stockholm University, Sweden
Brett Esry, Kansas State University, USA
Sharly Fleischer, Tel-Aviv University, Israel
Jason Greenwood, Queen’s University Belfast, UK
Christiane Koch, Universität Kassel, Germany
Ronni Kosloff, Hebrew University, Israel
Holger Kreckel, MPI-K Heidelberg, Germany
Stephen Leone, UC Berkeley, USA
Nimrod Moiseyev, Technion, Israel
Edvardas Narevicius, Weizmann Institute, Israel
Daniel Neumark, UC Berkeley USA
Thomas Pfeifer, MPI-K Heidelberg, Germany
Igor Schapiro, Hebrew University, Israel
Haruo Shiromaru, Tokyo Metropolitan University, Japan
Jan. R. R. Verlet, Durham University, UK
Mathias Weber, JILA, Colorado, USA
Roland Wester, Universität Innsbruck , Austria
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
The scientific workshop: “Massive Computation for Ultrafast Molecular Breaking” (MACUMB 2017) will be held in the Universidad Autónoma de Madrid (Spain) on 25th and 26th of May 2017.
The scientific program (http://www.macumb.info/programme.html) includes ten invited talks that will be combined with two 3-hours practical sessions in computer rooms. We aim to bring together developers of the state-of-the-art scientific software in the field of quantum chemistry and molecular physics.
Registration is already open and closes on May 15th, 2017. The registration for the meeting is free for all participants.
You can find detailed information at http://www.macumb.info/
Alicia Palacios, Sergio Díaz-Tendero and Jesús González-Vázquez
Departamento de Química, Facultad de Ciencias
Universidad Autónoma de Madrid
The CECAM workshop Seeking synergy between dynamics and statistics for non-equilibrium quantum processes will be held in Paris in June 6th-9th.
One of the major difficulties in achieving an accurate theoretical descriptions of non-equilibrium processes in quantum mechanical systems is framed by the desire to provide a representation of the system of interest that is as realistic as possible, in a manner that is computationally tractable. The coupling of electronic and nuclear motion involving excited states, the quantum nature of the nuclear degrees of freedom, and the application of time-dependent driving forces, are just few examples of the effects that must be addressed in order to simulate these processes. Each of these effects poses unique challenges to theoretical progress. A number of exact and approximate quantum dynamics techniques are being developed and refined in order to provide algorithms that respond to the demand for a balance between computational efficiency and physical accuracy. Currently available techniques are typically based upon two different, but equivalent, formulations of many-body quantum mechanics, the wave function approach or the density matrix picture.
The proposed workshop aims to bring together the two principal molecular quantum dynamics communities (wave-function methods and density matrix approaches). The scope is threefold, (i) to identify and explore common goals and obstacles, (ii) help in fostering new ideas to connect these approaches, and bridge the apparent gap between approximate dynamical and statistical descriptions, (iii) identify possible routes to extend dynamics approaches to the domain of statistics.
At the workshop, experts are asked to uncover the fundamental details of the methods in pedagogical lectures. These lectures will be followed by extensive discussions, during which contributed speakers and participants are welcome to put forth some of their doubts and problems in the relation between dynamics and statistics.
Further information can be at: https://www.cecam.org/workshop-1483.html
Preliminary invited speakers are:
Nandini Ananth (Cornell University, USA) Sara Bonella (CECAM, Switzerland) Irene Burghardt (Goethe University, Germany) Eitan Geva (University of Michigan, USA) E. K. U. Gross (Max-Planck Institute of Microstructure Physics, Germany) Raymond Kapral (University of Toronto, Canada) Dvira Segal (University of Toronto, Canada) Jeremy Richardson (ETH Zurich, Switzerland) Graham Worth (University College London, UK)
Where: CECAM Headquarters, Lausanne, Switzerland
When: June 12-16, 2017
Application deadline: February 28, 2017
This is a singular opportunity for students and postdocs. The school will be very similar to the previous one at IPAM last year (http://www.ipam.ucla.edu/programs/summer-schools/putting-the-theory-back-in-density-functional-theory/) with a similar line-up of excellent lecturers. We also provide limited support for student accommodation.
Last year, at least 30,000 scientific papers reported the results of DFT calculations. Many workshops and schools teach how to run a specific code. The purpose of this school is to teach the theory behind DFT. Lectures will be pedagogical and range from fundamentals to the latest approximations. The school is primarily targeted at junior researchers (Ph.D. students and postdocs) who are currently running DFT calculations and/or developing DFT or are interested in learning more about DFT. Internationally renowned experts in DFT will provide a thorough training in the fundamental theory through lectures and pedagogical research talks that connect themes of the lectures to the lecturers’ own cutting-edge research.
Mel Levy (Tulane University), John Perdew (Temple University), Hardy Gross (Max Planck Institute of Microstructure Physics) Weitao Yang (Duke University) Kieron Burke (University of California, Irvine) Leeor Kronik (Weizmann Institute) Neepa Maitra (Hunter College, CUNY) Adrienn Ruzsinszky (Temple University) Adam Wasserman (Purdue University)
Fill out the application form on the school web site. Submit one letter of recommendation from your academic advisor (via email to email@example.com). Participants are strongly encouraged to present a poster. Applications arriving by February 28, 2017 will receive full consideration.
Attila Cangi (Sandia National Laboratories) Kieron Burke (University of California, Irvine) Hardy Gross (Max Planck Institute of Microstructure Physics)
The two ICPEAC satellite meetings:
- The 25th International Symposium on Ion Atom Collisions (http://atom.curtin.edu.au/isiac)
- International Symposium on (e,2e), Double Photoionization and Related Topics with the 19th International Symposium on Polarization and Correlation in Electronic and Atomic Collisions http://atom.curtin.edu.au/e2epol
still welcome abstract submissions until the end of April. The confirmed invited speakers are available at the respective Scientific Program links.
We look forward to your participation,
Alisher Kadyrov, Chair of ISIAC
Igor Bray, Chair of (e,2e)-pol
The local organizing committee of the Catalan Chemical Society (SCQ) cordially invites you, on behalf of the Division of Computational and Theoretical Chemistry (DCTC) of the European Association of Chemical and Molecular Sciences (EuCheMS), to participate at the 11th European Conference on Theoretical and Computational Chemistry, September 4 – September 7, 2017, in Barcelona.
The conference will reflect recent advances, developments and trends in the field and its impact on related molecular sciences and technology. EuCO-TCC 2017 will provide a unique information and communication platform and will cover a wide range of subjects related to computational chemistry, theoretical chemistry, material sciences, biology and drug design, and from fundamental academic research to industrial applications.
This invitation is addressed to scientists in academia, industry and in governmental institutions. You are all warmly welcomed to share your most recent findings and ideas and to continue the tradition of EuCO-CC conferences (Nancy 1994, Lisbon 1997, Budapest 2000, Assisi 2002, La Londe le Maures 2006, Tale 2006, Venetia 2008, Lund 2010, Sopron 2013, Fulda 2015).
Outstanding keynote speakers will outline recent trends in vary fields of interest. The scientific program will be completed by exhibitors presenting latest methods and applications in the field of computational chemistry.
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:
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
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