Events

Sep
13
Sat
50th Symposium on Theoretical Chemistry @ University of Vienna
Sep 13 – Sep 18 all-day

The 50th Symposium on Theoretical Chemistry, will take place in Vienna, Austria from September 14-18, 2014.

This year meeting will feature 15 invited speakers, who will present talks spanning from the development of methods in quantum chemistry, in dynamics, or the combination of both, to applications, also for excited states and light-induced processes. Additionally, 24 oral presentations from any field of Theoretical Chemistry will be selected from submissions and posters. Two poster sessions will allow you to interact with theorists from all fields of Theoretical Chemistry. On September 17th, the Hellmann Prize will be awarded to a young theoretical chemist.

The 50th anniversary will be additionally celebrated with two historical lectures. Wilfried Meyer (Kaiserslautern) will highlight the development of Theoretical Chemistry in the last 50 years within the German speaking countries and Klaus Ruedenberg (Iowa) will tell us about the history of Chemistry starting 3000 years ago.

Important dates:

Registration is now open and closes on the 30th of May.

Abstract deadline for oral contributions: 15th June.

Abstract deadline for posters: 15th July.

The number of participants is limited, so we cordially invite you to register as soon as possible.  A contingent of affordable rooms have been reserved to facilitate housing in Vienna.  September is conference high season and cheap accommodation runs out fast. It is therefore recommended to book early. If you fly with Austrian airlines, a discount of 15% is applied for STC participants.

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
30
Wed
1st MOLIM Training School (MTS1)
Mar 30 – Apr 3 all-day

1st MOLIM Training School (MTS1) “Molecular Potentials and Dynamics: The Starting Journey”, supported by the COST program Molecules in Motion (MOLIM) (http://cost-molim.eu), will be held from March 30 to April 3, 2016, in Curia, Portugal. The scientific program of MTS1 focuses both on experimental and theoretical studies of molecular interactions, collision dynamics, spectroscopy, and related fields. MTS1 involves 11 invited trainers from 8 countries, who were asked to summarize at an introductory post-graduate level the topics of their presentations, with the objective of revealing the basic knowledge for the trainees to understand the current thinking of leading research within their field. It is hoped that their authoritative contributions presented at MTS1 will also appeal to non-specialists through their clear and broad introductions to the field as well as references to the accessible literature. MTS1 will comprise contributions covering a wide range of topics, from electronic and ro-vibrational structure theory of molecules and clusters to dynamics of elastic, inelastic and reactive encounters between atoms, molecules, ions, clusters, and surfaces.

It will also have a section for the trainees to report their own ongoing work via presentation of posters at the end of every day during the TS.

The invited speakers include:
S. Adhikari (Calcutta – India)
J. L. Alonso (Valladolid – Spain)
A. G. Császár (Budapest – Hungary)
R. Fausto (Coimbra – Portugal)
M. Hochlaf (Paris – France)
D. Per Jensen (Wuppertal – Germany)
I. Kleiner (Paris – France)
T. J. Martinez (Stanford – CA, USA)
A. J. C. Varandas (Portugal)
W.-T. Yang (Durham – NC, USA)
G. Zerbi (Milano, Italy)

The number of trainees is limited to 74 according to the following distribution:
30 trainees (with full accommodation and local travelling support from COST)
16 trainees (with partial support from COST; 8 meals)
28 (at maximum) trainees not supported by COST.

Detailed information can be found at http://www.uc.pt/go/molim2016 with pre-registration open. Grant applications and poster submissions will open soon.

Looking forward to see you in Curia
A.J.C. Varandas and R. Fausto

Apr
4
Mon
2nd WG3 meeting “Control of chemical reactivity” @ Queen’s University Belfast
Apr 4 – Apr 5 all-day
2nd WG3 meeting "Control of chemical reactivity" @ Queen’s University Belfast | Belfast | Northern Ireland | United Kingdom

The 2nd COST XLIC Working Group 3 Meeting –  Control of Chemical Reactivity will be held at Queen’s University Belfast, on 4th – 5th April 2016.

Scope of the meeting:
The topic of interest of the XLIC Working Group 3 (WG3) is to control the reactivity of highly excited and/or ionized molecules through pump-probe techniques and High Harmonic spectroscopy, i.e., to control electron transfer, isomerization and dissociation with attosecond temporal and sub-Angstrom spatial resolution.
Specific areas addressed by the WG are:
* Development and application of optimal control theory (OCT)
* Use of time-resolved pump-probe techniques to control process relevant to atmospheric chemistry or biomolecules
* Development and use of current theories to treat the dynamics of pump-probe experiments
* Study of the response of molecular systems irradiated by strong fields

Meeting Details:
The 2nd WG3 meeting will be hosted by Queen’s University Belfast over two full days (4th-5th April 2016) with contributions from invited speakers and young scientists, including a poster session.

The meeting will be held in the Department of Physics and Astronomy at Queen’s University Belfast. The University is about 15 minutes walk from the City Centre and there are a number hotels in the area. While there are direct flights from European cities to Belfast International Airport (Paris, Vienna, Prague, Pisa, Geneva, Amsterdam, Barcelona, Krakow, Nice, Split), Dublin is accessible from many more cities and there is a regular bus connection to Belfast (2 hours).

Delegates should arrive on Sun 3rd April and leave on Wed 6th April. To register, and for more information, including accommodation, see the conference webpage – http://go.qub.ac.uk/XLIC-WG3.

Registration and poster abstract deadline: 1 March 2016
Early career researchers are particularly encouraged to attend the meeting and present their latest results.

Conference programme:
Click the link to download a copy of the program.

Support to participants:
Invited speakers (and some selected participants) who had received an invitation to be reimbursed, can claim their travel and subsistence expenses in accordance to COST rules.
Participants are advised to check COST Vademecum (pages 20-24) before incurring on any expense and to take into account that the flat rate for accomodation has been reduced to 100 EUR.
In particular, please:
– check the supporting documents you should provide in case you are travelling to and from countries other than that where the approved meeting is being held and the country where you are residing. A proper justification and all the documents detailed in page 22 of COST Vademecum should be provided when sending the claim. If not, the claim will be rejected.
– take note on the current definition on Local transport expenses on page 24 of COST Vademecum: now, you should provide tickets/invoices for any trip occurring within the same country if the claim exceeds 25 EUR.

Local Organising Committee:
Jason Greenwood (QUB) (j.greenwood@qub.ac.uk)
Graham Worth (Birmingham) (g.a.worth@bham.ac.uk)
Daniel Dundas (QUB) (d.dundas@qub.ac.uk)
Hugo van der Hart (QUB) (h.vanderhart@qub.ac.uk)

Mar
6
Mon
2nd MOLIM Training School @ Paris-Saclay University
Mar 6 – Mar 10 all-day

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.

Registration: http://iramis.cea.fr/meetings/MTS2/index.php

Confirmed speakers:

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 :

Dr. Lionel Poisson
Pr. Majdi Hochlaf
Dr. Laurent Nahon
Pr. Satchin Soorkia

May
25
Thu
MACUMB 2017 @ Facultad de Ciencias, Universidad Autonoma de Madrid
May 25 – May 26 all-day
MACUMB 2017 @ Facultad de Ciencias, Universidad Autonoma de Madrid | Madrid | Community of Madrid | Spain

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/

Organizers:
Alicia Palacios, Sergio Díaz-Tendero and Jesús González-Vázquez
Departamento de Química, Facultad de Ciencias
Universidad Autónoma de Madrid

Sep
4
Mon
11EUCO-TCC @ Institut d’Estudis Catalans (Institute for Catalan Studies, IEC)
Sep 4 – Sep 7 all-day
11EUCO-TCC @  Institut d’Estudis Catalans (Institute for Catalan Studies, IEC) | Barcelona | Catalonia | Spain

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.

Apr
9
Mon
CECAM School: School on Kinetics and Dynamics of Chemical Reactions @ CECAM ES
Apr 9 – Apr 13 all-day
CECAM School: School on Kinetics and Dynamics of Chemical Reactions @ CECAM ES | Zaragoza | Aragon | Spain

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

May
21
Mon
CECAM School: New Computational Methods for Attosecond Molecular Processes @ CECAM-ES
May 21 – May 25 all-day
CECAM School: New Computational Methods for Attosecond Molecular Processes @ CECAM-ES | Zaragoza | Aragon | Spain

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