OFRECIMIENTO DE POSICION DOCTORAL
SEVERO OCHOA PHD PROGRAM

SEVERO OCHOA PHD ON NEW METHODOLOGIES FOR MODELLING VIBRATIONAL AND THERMAL PROPERTIES IN NANOMATERIALS AND NANODEVICES

INVOLVED ICN2 GROUPS

Theory and Simulation
Theoretical & Computational Nanoscience
Phononic and Photonic Nanostructures
Oxide Nanoelectronics

STUDENTS’S TASKS

The student´s tasks will include:

Develop and implement algorithms for efficient calculations of vibrational properties from first principles using Density Functional Perturbation Theory (DFPT) within the SIESTA package.
Apply the new algorithms to compute phonon spectra and phonon-phonon coupling strengths in nanostructured systems.
Perform simulations of thermal transport in low-dimensional nanostructures using the information derived from the vibrational properties.
Adapt the DFPT methodology implemented to the calculation of properties related to the response to lattice deformations, aiming at simulations of piezo- and flexo-electric responses.

CANDIDATE’S PROFILE

BSc in Physics, Chemistry, Materials Science or Nanoscience. Master degree with experience in materials simulations and (ideally) in numerical methods. Knowledge of linux/unix and programming experience (fortran and mpi) preferable. Good written and oral communication skills in English.

SKILLS TO BE ACQUIRED

Expertise in first principles of atomistic simulations. Algorithm development and programming skills. Knowledge of vibrational properties in materials and thermal transport. Novel materials. Materials engineering and nanostructured bi-dimensional materials

WE OFFER

Full-time contract as a PhD researcher, for up to 3 years, extended yearly upon evaluation.
Social benefits: Flexible timetable, Flexible Benefits Package
Scientific excellence, a challenging project, and an innovative work environment.

CLOSING DATE

Interested candidates are encouraged to apply by 31st August 2014. The recruitment process will be closed when a suitable candidate is found.

CONTACT
  • Miguel Pruneda 
    miguel.pruneda [at] gmail [.] com
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56 Responses to OFRECIMIENTO DE POSICION DOCTORAL
SEVERO OCHOA PHD PROGRAM

  1. ix and programming experience (fortran and mpi) preferable. Good written and oral communication skills in English.

    SKILLS TO BE ACQUIRED

    Expertise in first principles of atomistic simulations. Algorithm development and programming skills. Knowledge of

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    ples using Density Functional Perturbation Theory (DFPT) within the SIESTA package.
    Apply the new algorithms to compute phonon spectra and phonon-phonon coupling strengths in nanostructured systems.
    Perform simulations of thermal transport in low-dimensional nanostructures using the information derived from the vibrational properties.
    Adapt the DFPT methodology implem

  3. ured systems.
    Perform simulations of thermal transport in low-dimensional nanostructures using the information derived from the vibrational properties.
    Adapt the DFPT methodology implemented to the calculation of properties related to the response to lattice deformations, aiming at simulations of piezo- and flexo-electric responses.

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    Apply the new algorithms to compute phonon spectra and phonon-phonon coupling strengths in nanostructured systems.
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