Events

Jun
18
Thu
Spectroscopy Lectures :: theory and codes @ CECAM-HQ-EPFL
Jun 18 – Jun 19 all-day

The CECAM School on: “Theoretical Spectroscopy Lectures: theory and codes” reaches the 6th edition and takes place from 18th to 22th of May, 2015 at the CECAM-HQ-EPFL, Lausanne, Switzerland.

Electronic excitations are probed by experimental techniques such as optical absorption, EELS and photo-emission (direct or inverse). From the theory point of view, excitations and excited state properties are out of the reach of density-functional theory (DFT), which is a ground-state theory. In the last twenty years other ab-initio theories and frameworks, which are able to describe electronic excitations and spectroscopy, have become more and more used: time-dependent density-functional theory (TDDFT) and many-body perturbation theory (MBPT) or Green’s function theory (GW approximation and Bethe-Salpeter equation BSE). In fact, computational solutions and codes have been developed in order to implement these theories and to provide tools to calculate excited state  properties.The present school focuses on these points, covering theoretical, practical, and also numerical aspects of TDDFT and MBPT, and codes implementing them (ABINIT, DP, EXC).

The presentation of the theory will be followed by practical classes and hands-on  tutorials. At the end of the school, students will have sufficient working knowledge to  pursue their projects at their home institution. The participants are expected to have a fair knowledge of DFT prior to the school (see Ref. 1, given in the school’s website) and to be familiar with one plane-wave pseudopotential based software.
Indeed, although at the beginning of the school, we will make sure that the DFT level of all participants is enough in this respect and provide the needed complementary  information and training, the purpose of the school is to go beyond DFT, with hands-on exercices based on plane-wave implementations.

The deadline for application is on 15 April 2015, but giving the limited number of places (around 25) many applications will be considered even before the deadline. Especially student candidates coming from outside EU are encouraged to register soon: an answer to them will be given as soon as possible for VISA and traveling purposes.

In order to apply for the school, please go to: http://www.cecam.org/workshop-1136.html

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

Jun
6
Tue
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:          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)

Aug
12
Sat
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 @ http://femto13.unam.mx/ 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 femto13@chemistry.msu.edu

Jul
2
Mon
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’ (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.