Events

Jul
2
Wed
ESPA2014 @ Edificio Siglo XXI
Jul 2 @ 7:30 pm – Jul 4 @ 8:30 pm
ESPA2014 @ Edificio Siglo XXI | Badajoz | Extremadura | Spain

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.

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

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)