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Course on Parallel Programming with OpenMP and MPI

A new edition of the course on Parallel Computing will be held next November 2nd, 2016. The goal of the course is the understanding and practice fundamental concepts about parallel programming with OpenMP  and MPI.

More information here



PhD fellowships -ITN-EJD: Theoretical Chemistry and Computational Modelling TCCM

A Consortium of 12 European Universities and 14 associated partners, including 9 private companies, under the coordination of the Universidad Autonoma of Madrid, offers 15 fully-funded 3-year PhD fellowships within the European Joint Doctorate Program in Theoretical Chemistry and Computational Modelling (EJD-TCCM), funded under the framework of the Innovative Training Networks of the Marie Sklodowska-Curie Action ITN-EJD-642294. TCCM. A detailed list of the projects and the institutions involved can be consulted on our website.

We offer

  • A 3-year European Joint Doctorate with cross-disciplinary thesis research in a stimulating, international scientific environment.
  • Working in top European Universities in at least two different countries
  • Supervision and mentorship by a team of internationally renowned experts.
  • Advanced training (scientific, transferable skills, career orientation) opportunities in English.
  • 2-10 month placement in private companies
  • An employment contract with full social security coverage

How to Apply

Applications must be submitted online at our website.

Deadline: 15th April 2015. PhD projects start in summer/autumn 2015. We look forward to hearing from you!


PhD and Postdoctoral positions on Theoretical Attosecond Molecular Dynamics

The Universidad Autónoma de Madrid (UAM) offers several postdoc and PhD positions linked to the ERC Advanced Grant project X-Chem (XUV/X-ray lasers for ultrafast electronic control in molecules), starting no later than September, 2015. The successful applicants shall develop a research project on “Theoretical Attosecond Molecular Dynamics” to theoretically investigate the coupled electron and nuclear dynamics induced by attosecond laser pulses and strong electromagnetic fields on small and mid-size molecules. The work will be performed in close collaboration with experimental groups.

More information can be found here

Prospect candidates must have an adequate degree in Physics or Chemical Physics and strong background in atomic, molecular and optical physics, attosecond physics, scattering theory, numerical methods, and programming. Transnational mobility will be positively evaluated.

Application procedure

Interested candidates are kindly requested to check all details about the application procedure for  PhD positions and  post-doc positions.

Applications not complying with the call guidelines may be discarded.

Deadline for Postdoc applications: February 15th, 2015

Deadline for PhD applications: March 15th 2015


Postdoctoral position opened in quantum chemistry

A one-year postdoctoral contract is available in the Campus group.The aim of the project is to develop a theory for the description of dynamical processes involving energy and charge transfer in molecule-surface interactions. The project involves the use state-of-the-art methodologies to study these complex processes in periodic systems.


  1. Hold a PhD in Physics or Chemical Physics
  2. Strong background in quantum chemistry, including the modeling of electronic excited states
  3. Experience in FORTRAN programming, treatment of periodic systems and/or dynamical calculations will be positively considered

The postdoc position will start between March 1st and June 1st 2015.

Further information can be found here:

The deadline for applications is February 1st 2015.


Ultrafast Electron Dynamics in a Biomolecule Initiated by Attosecond Pulses

Several european researchers have been able to induce and measure an ultrafast charge migration in a complex molecule. This phenomenon precede any structural rearrangement of molecules and is the basis of many biological processes. The work has been published in the journal Science.

The work arises from a cooperation among several European researchers. A clear experimental evidence of ultrafast charge dynamics in the phenylalanine amino acid, after prompt ionization induced by attosecond pulses, has been found. Charge migration shows up as oscillations in the yield of a doubly-charged molecular fragment produced from ionization of a second electron by a probe pulse as a function of its delay time. Two main frequencies were measured: 0.24 PHz (corresponding to a period of 4.2 fs) and 0.36 PHz (period of 2.8 fs), thus confirming the electronic origin of the measured dynamics. Numerical simulations of the temporal evolution of the electronic wave packet created by the attosecond pulse strongly support the interpretation of the experimental data in terms of charge migration.

The theoretical work has been done by David Ayuso, Alicia Palacios and Fernando Martín, from the CampuS group.


Download the video here


XChem code

FullFun Code

M3C Code

AttoChem COST Action

XChem project

Attotrend project


Our group belongs to the Erasmus Mundus European program, which offers opportunities to obtain a master to European and non-European students. More details in Jobs.


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