Events

Apr
14
Mon
1st Meeting of the Working Group 3 – Control of chemical reactivity @ University of Birmingham. School of Chemistry
Apr 14 @ 7:00 am – Apr 16 @ 12:00 pm

The first meeting of the Working Group 3 will take place in Birmingham Apr. 14th – 16th 2014.

The Working group focuses on the control of chemical reactivity using laser light. There will be 5 sessions covering control strategies, strong field control, measuring the evolving system, control in the condensed phase and applications. Contributions from young scientists are encouraged: as a talk or as a poster.

Registration will be open Feb. 15th.

For further details see www.stchem.bham.ac.uk/~worthgrp/xlic_wg3_2014

Jul
2
Wed
1st XLIC Work Group 1 (Ultrafast electron dynamics in molecules) meeting @ University College London
Jul 2 – Jul 3 all-day
1st XLIC Work Group 1 (Ultrafast electron dynamics in molecules) meeting @ University College London | London | United Kingdom

The 1st XLIC Work Group 1 (Ultrafast electron dynamics in molecules) meeting will take place on July 3-4, 2014. It will be co-located with the workshop Free Electron Lasers and Attosecond Sources (http://www.ucl.ac.uk/phys/amopp/atto-fel-conference)  at UCL London.

PROGRAM: The WG1 meeting will be organized in a format similar to Faraday discussions.

The FINAL meeting program including poster contributions and discussion points formulated by Discussion leaders is now available here.

CALL FOR ABSTRACTS (about 200 words) is closed. They should address discussion points raised by the discussion leaders. Submitted abstracts will serve to organize the sessions, promoting discussions on most challenging aspects of ultrafast laser-matter interaction. The deadline for abstract submission was April 28.

The abstracts should be sent to olga.smirnova@mbi-berlin.de. The name of the files should contain the number of the topic and your name, e.g. “3_smirnova.doc” means the contribution by Olga Smirnova to the topic “High harmonic spectroscopy”.

  • Topic 1: XFEL and X-ray spectroscopy: experiment (Discussion leader: Jon Marangos)
  • Topic 2: Theory of atoms and molecules under intense short wavelength radiation  (Discussion leader: Peter Lambropoulos)
  • Topic 3:  High harmonic spectroscopy (Discussion leader: Yann Mairesse)
  • Topic 4: Time-dependent computational methods for multielectron systems in external fields   (Discussion leader: Alejandro Saenz)
  • Topic 5: Multielectron ionization & coupled electron-nuclear dynamics (Discussion leader:  Agapi Emmanouilidou )

In addition there will be two “Work in groups” sessions:

  • Group 1: TDDFT and applications to attosecond spectroscopy
    Discussion leaders: Francoise Remacle  and Franck Lepine
  • Group 2: Electron dynamics in strong IR fields
    Discussion leader: Bernard Piraux

The program for each session/topic can be checked following the links above.

BUDGET ACCOMMODATION: Single rooms at UCL dorms are still available for booking either at “Schafer House” for 36.5 pounds per night or at “Ifor Evans” house for 32.5 pounds per night.

Book your room by sending e-mail to Ms Cherril Fontaine c.fontaine@ucl.ac.uk

 

WG1 MEETING REGISTRATION (NEW DEADLINE: April 11th, 2014 at midnight):

No more submissions accepted at this time.
Jul
12
Sun
@ 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 (http://th.fhi-berlin.mpg.de/sitesub/meetings/dft-workshop-2015/)

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:
http://th.fhi-berlin.mpg.de/sitesub/meetings/dft-workshop-2015/

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)

 

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)

May
14
Sun
CECAM School: Quantum and Mixed Quantum Classical Dynamics in photochemistry @ CECAM HQ
May 14 – May 18 all-day
CECAM School: Quantum and Mixed Quantum Classical Dynamics in photochemistry @ CECAM HQ | Lausanne | Vaud | Switzerland

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.

More information at: https://www.cecam.org/workshop-1542.html

Jun
12
Mon
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
https://www.cecam.org/workshop-1326.html
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.

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)

Application:

Fill out the application form on the school web site. Submit one letter of recommendation from your academic advisor (via email to acangi@mpi-halle.mpg.de). 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)

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