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.
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- Texto original: http://jobs.icn2.cat/job/14/severo-ochoa-phd-on-new-methodologies-for-modelling-vibrational-and-thermal-properties-in-nanomaterials-and-nanodevices/
- Miguel Pruneda
miguel.pruneda [at] gmail [.] com
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
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
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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what majors are offered?
ty 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 i
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