The 9th Congress on Electronic Structure: Principles and Applications (ESPA), will be held in Badajoz (Extremadura, Spain) from the 2nd to the 4th of July 2014.
The ESPA conferences, initiated in 1998, have been held every two years and cover all major fields of Theoretical and Computational Chemistry. The previous ESPA editions were organized in Madrid (1998), San Sebastián (2000), Sevilla (2002), Valladolid (2004), Santiago de Compostela (2006), Palma de Mallorca (2008), Oviedo (2010) and Barcelona (2012). These conferences were initially intended to bring together the Spanish Theoretical and Computational Chemistry community. They have grown over time (both in national and international participation), thereby evolving into a key event with international reputation in the field.
The conference encompasses plenary lectures, oral communications and posters presentations. All participants are invited to submit an abstract for an oral communication or a poster.
Proceedings of the conference will be published in Theoretical Chemistry Accounts upon the usual peer-review process. Details on how to submit the manuscript to the journal will be conveniently provided.
We hope to meet you in Badajoz between the 2nd and the 4th of July 2014.
Previous to the ESPA2014 the Third Annual Workshop of the Joint Doctorate Program on Theoretical Chemistry and Computational Modelling (TCCM) (http://www.emtccm.org/tccm-jd/) will take place the 1st of July in the Faculty of Sciences, Universidad de Extremadura.
The 4th XLIC General Meeting (COST Action CM1204) will be held in Prague, Czech Republic, on March 14-16, 2017. It will also host the final XLIC Management Committee (March 14) and the 3rd Young Scientist Forum (YSF).
Deadline for the submission of abstracts is January 31st, 2017. Abstracts should be written in English and uploaded via the online form.
Interested participants must register before February 14th, 2017, by filling the corresponding form. All meeting participants must pay a conference package (including lunch, dinner and coffee) for the days attending the meeting. To proceed with the payment, please, fill, sign and send to firstname.lastname@example.org the following form.
The conference will consist of lectures given by invited speakers, Young Scientist Forum and 2 poster sessions.
NEW: The draft full scientific program, including timetable, talks and list of poster contributions can be downloaded here: XLIC_GM_2017-ScientificProgram (the most updated version should be checked in the meeting website: http://www.jh-inst.cas.cz/xlic2017/programme).
3rd YOUNG SCIENTISTS FORUM:
There shall be a special half-day session with talks given by young researchers (PhD students and post-docs) on March 15. It will include 12 lectures, out of which 6 oral contributions will be chosen by YSF committee based on submitted abstracts. The deadline for abstract submission for YSF was 31st January 2017.
Applicants asking for the talk at YSF are also required to submit a short CV which is to be emailed to email@example.com. Abstracts submitted after the deadline will not be considered for the selection.
For more details see http://www.jh-inst.cas.cz/xlic2017/home and http://www.xlic.eu. You can also contact A. Domaracka (firstname.lastname@example.org).
Selected YSF speakers can ask for financial support from XLIC COST Action.
NEW: The list of young researchers selected to give a talk has been published here: https://xlic.qui.uam.es/?p=3369
Due to all-under-one-roof format of the conference, accommodation is also available: both single and double rooms for the price of 65 EUR/night. To book your room, please, fill, sign and send to email@example.com the following form before February 14th, 2017.
More information can be found in the meeting website: http://www.jh-inst.cas.cz/xlic2017/accommodation
The participation of XLIC MC members and speakers will be supported with Action budget (with the exception of MC Observers coming from IPC Institutions). COST will also fully reimburse those young researchers selected for oral contributions in the Young Scientist Forum and, depending on the budget, we will try to cover also expenses from other young participants.
Participants entitled for reimbursement will receive an official notification before the meeting. We strongly recommend to check the COST rules for reimbursement before incurring any expense in:
- COST Vademecum, page 20-24, and /or
- the instructions on how to fill the Travel Reimbursement Request Form (TRR)
Accommodation and meal expenses will be reimbursed on the basis of flat rates. A reduction on maximum flat rates allowed for this particular meeting has been agreed by XLIC MC. The applicable rates are 100 EUR for accommodation and 20 EUR for meal expenses. For participants staying in cheaper hotels less money can be claimed by requesting the reimbursement for a smaller number of nights/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).
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.
Please note that claims submitted later than 30 days after the meeting shall not be considered.
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
Photoinitiated processes are not only important for understanding natural phenomena but they also play an undeniable role in the booming fields of renewable energy, material design and medicine. Excited state processes have traditionally been explained from a static point of view, delivering in some cases a biased, incorrect or even incomplete description of the former. The simulation of the dynamics of such processes is therefore fundamental for the quest to understand the chemical and physical mechanisms.
The purpose of this school is to introduce its participants to state-of-the-art methodologies for the simulation of the dynamics of processes in the excited state, following the evolution in time of photoinitiated reactions, one of the priority topics of this call.
The school will be focused in simulating the dynamics of complex molecules. Electronic ab initio or TD-DFT methods would be sketched for obtaining the electronic wavefunctions or densities, that would be afterwards quantum-mechanically propagated. Moreover, several approaches for the treatment of the nuclei will be also provided, from full quantum dynamics to mixed quantum-classical dynamics.
The course is directed at PhD students, and young researchers, beginners in the field, working in theoretical chemistry and molecular physics.
The tutorial will be organized in 6 theoretical and 6 practical sessions, the latter taking place in the computer lab. The theoretical sessions will be of 3 hours and practical sessions will last 3 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.
More information: https://www.cecam.org/workshop-1542.html
The recent development of novel light sources like x-ray free-electron lasers and table-top lasers for high-harmonic generation, which are capable of delivering controllable sequences of intense sub-femtosecond ionizing pulses, has opened the way to monitor and control electron dynamics in atoms and molecules at its natural time scale, the attosecond (Chem. Rev. 2017, DOI: 10.1021/acs.chemrev.6b00453). The description of the coherent superposition of electronic continuum states that the interaction of such pulses with molecules generates goes beyond the capabilities of standard quantum-chemistry packages, which have been designed to describe the lowest bound states. Furthermore, stationary state-based pictures based on lowest-order perturbation theory are, in most cases, inapplicable. The purpose of this school is to introduce state-of-the-art ab-initio, hybrid and TDDFT numerical methods that can cope with ultra-fast dynamics in the electronic continuum of molecules, with an emphasis on unbound states in strong-fields and on the need to go beyond single-active-electron models to properly account for electron correlation. The course is directed to advanced master students, PhD students and young post-doctoral researchers in atomic and molecular physics, theoretical chemistry and applied mathematics, with an interest in developing new software for coherent control of electronic dynamics in systems of chemical interest.
The tutorial will be organized in 5 theoretical sessions and 4 practical sessions in the computer lab. Both theoretical and practical sessions will be of 4 hours. The school comprises four didactic blocks. The first block has an introductory character. It offers an overview of the field and a tutorial on strong field physics. The following three blocks focus on systems of increasing complexity and will be devoted to the description and use of new computational methods for fast time evolution in correlated systems in non-perturbative conditions (see description below). The school will end with a comprehensive overview of state-of-the-art results in attosecond pump-probe and strong field molecular science obtained with ab initio “exact” simulations in small systems, on the one side, and with TD-DFT effective-field simulations, capable of coping with larger systems, on the other side. The future perspectives, challenges and mutual interaction of these two complementary approaches will be discussed.
More information: https://www.cecam.org/workshop-1552.html
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.