@ Harnack House
Jul 12 – Jul 23 all-day

A 10-days Hands-on Tutorial Workshop on Density-functional theory and beyond: First-principles simulations of molecules and materials will be held on July 13 to 23, 2015, at Harnack House Berlin (

This ten-day Hands-On Tutorial Workshop introduces the basic and current developments in electronic structure theory for an intended audience of researchers entering the field. Morning lectures on the most important topics will be given by a field of international experts, complemented by afternoon hands-on sessions – practical exercises with computers – to deepen selected topics. For example, we cover:
* Density-functional theory (DFT) and quantum chemical approaches
* The most important numerical implementations
* Advanced functionals (capabilities and limits!)
* Electronic structure theory “beyond traditional Kohn-Sham DFT” (including GW, TDDFT, many-body formalisms)
* Ab initio molecular dynamics and nuclear quantum effects
* Multiscale approaches and statistical learning based on first principles
… and a wide range of other topics.
The application and poster-abstract submission interfaces for the workshop are now open until March 31. For space reasons, the number of participants will be limited to approximately 70. Acceptance decisions will be made within 2 weeks after the deadline (April 15, 2015).

Limited funds for financial support are available.
See the web page for details:

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 –

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) (
Graham Worth (Birmingham) (
Daniel Dundas (QUB) (
Hugo van der Hart (QUB) (

2nd XLIC WG2 meeting & EPoLM-2 @ AlbaNova University Center
Apr 11 – Apr 15 all-day
2nd XLIC WG2 meeting & EPoLM-2 @ AlbaNova University Center | Stockholm | Stockholm County | Sweden


The topic of the 2nd meeting on the Energetic Processing of Large Molecules (EPoLM-2) is Carbon- and hydrocarbon molecules: from the lab to space. Building on the success of the first meeting at the Lorentz Center in Leiden in May 2015, we aim to bring together scientists from a broad range of research fields (physics, chemistry, astrophysics, and astronomy) to exchange expertise and work together on joint projects. Here, the focus will be on the latest laboratory results on mechanisms and rates for the formation and destruction of carbon and hydrocarbon molecules under space-like conditions. The aim of the meeting is to combine this knowledge with new observations and astrophysical models.

The 2nd meeting for the members of the XLIC Working Group 2 is organized in the framework of the COST Action CM1204 (XUV/X-ray light and fast ions for ultrafast chemistry). Working Group 2 is concerned with the stability of highly excited and highly charged molecules in the gas phase and their reactivity: interaction with other molecules and formation of new species through isomerization and/or fragmentation.

 Conference site

The meetings will be held during 11-13 and 13-15 April 2016 in Stockholm (Sweden), with one common day (April 13). The conference venue is the AlbaNova University Center, which is located close to the city center and is easily accessed by public transport.


Registration: 29 February 2016
Abstract submission: 29 February 2016
Note that the registration may be closed earlier due to the capacity of the venue


Speakers invited to attend the second XLIC WG2 meeting (and some selected participants) can be reimbursed for their travel and subsistence expenses in accordance to COST rules. Please, note that no support to attend the EPoLM-2 meeting will be provided by XLIC Action.

Before incurring on any expense, please check COST Vademecum pages 20-24. 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 exceed 25 EUR.

Participants are kindly asked to keep their expenses as low as possible and ask only for the amounts they have spent, even if flat rates allow for a higher contribution, so the Action budget can be used to support more activities/participants. Thank you in advance!

Organizing committee

Henrik Cederquist (Stockholm University), Henning Zettergren (Stockholm University), Henning Schmidt (Stockholm University), Ronnie Hoekstra (University of Groningen), and Alexander Tielens (Leiden Observatory).

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.


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

CECAM workshop Seeking synergy between dynamics and statistics for non-equilibrium quantum processes
Jun 6 – Jun 9 all-day

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:

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)

CECAM DFT School, June 12-16, 2017, Lausanne @ CECAM Headquarters
Jun 12 – Jun 16 all-day

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 ( with a similar line-up of excellent lecturers. We also provide limited support for student accommodation.

Scientific overview:

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.

Confirmed speakers:

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 Participants are strongly encouraged to present a poster. Applications arriving by February 28, 2017 will receive full consideration.

Organizing Committee:

Attila Cangi (Sandia National Laboratories) Kieron Burke (University of California, Irvine) Hardy Gross (Max Planck Institute of Microstructure Physics)

ISIAC and (e,2e)-pol satellites to ICPEAC
Jul 23 – Aug 4 all-day

The two ICPEAC satellite meetings:

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

FEMTO13 @ Marriott Resort Casamagna Cancun
Aug 12 – Aug 17 all-day

The Femtochemistry (FEMTO13) Conference will be dedicated to the Legacy of Professor Ahmed Zewail.

FEMTO13 will take place in Cancun, Mexico, from August 12th to 17th, 2017. At the conference there will be a Mini-Symposium of Zewail Alumi, and there will be a Mini-Symposium where The 6th Ahmed Zewail Prize in Molecular Sciences will be awarded to Professor Michael Grätzel from the Ecole Polytechnique Fédérale de Lausanne, Switzerland.

The venue will be the Marriott Resort Casamagna Cancun, located on the beach near Cancun city and not too far from the Maya city of Tulum.

We invite you to visit us @ to explore our list of outstanding invited speakers and exciting scientific program.

Marcos Dantus and Jorge Peon

If you have any questions or you would like to see our first circular email  us directly at

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.

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’ ( 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.