[QE-users] Two doctoral/postdoctoral positions, THEOS at EPFL

[Nicola Marzari]

Dear QE users,

two doctoral/postdoctoral positions are available in the Laboratory for
Theory and Simulation of Materials (http://theossrv1.epfl.ch) at EPFL
in Lausanne, Switzerland, under the supervision of Dr. Giovanni Pizzi
and Prof. Nicola Marzari.

Outstanding candidates are sought with a strong background in the
physical sciences and engineering alongside a passion for
programming. Candidates are expected to show excellent work ethics and
to feel at home working in teams.

These job openings provide the opportunity to join an exciting and very
driven international team at the forefront of research in the field
of materials discovery and design, enabled by AiiDA (http://aiida.net),
an open-source python framework for automated workflow management
and provenance tracking. The candidate will join the scientific group at
EPFL, collaborating with groups around the world (at universities,
research institutes and companies) where AiiDA and its plugins are
developed and used to enable the discovery of next-generation materials.

Position 1 – High-throughput materials discovery: The successful
candidate will be involved in materials discovery projects that involve
the development of new capabilities dedicated to the automated
calculation of advanced materials properties. Typical tasks will involve
computing novel properties – from thermodynamics to spectroscopies;
enabling novel methods; increasing the automation and robustness of
the calculations; automatic optimisation of parallelisation parameters
to maximise performance of the simulation codes on next-generation
exascale architectures.

Position 2 – Convergence of HPC/HTC/HPDA on exascale machines: The
successful candidate will be involved in implementing new features in
AiiDA, focusing on its scalability towards exascale systems, and in
particular on calculation throughput and on unlocking
seamless management and analysis of large amounts of interconnected
data. Possible tasks will include object-store integration, advanced
data sharing capabilities, or improved deduplication of data in the file
repository and in the database. This position will involve also code
maintenance and releases (for AiiDA core or the AiiDA-Quantum ESPRESSO
plugins), AiiDA user support, and deployment using various technologies
(PYPI, conda, docker, virtual machines via ansible, ...).

The positions are funded by the European Centre of Excellence MaX
"Materials design at the Exascale" (http://www.max-centre.eu), where
the EPFL MaX team leads the work package "Convergence of high-
performance computing, high-throughput computing and high-performance
data analytics", and by the Open Science Platform of the Swiss MARVEL
NCCR (http://nccr-marvel.ch), dedicated to the promotion of Open
Science and of the technologies that enable it. Both projects support
the development and extensive application of AiiDA and of its plugins
(over 30 different materials science codes are already interfaced with
AiiDA, see full list on the AiiDA plugin registry:
https://github.com/aiidateam/aiida-registry).

For best consideration, applications should be submitted by Nov 24th,
2019; the positions will remain open until suitable candidates have
been found.

Additional information on the selection criteria and requirements, the
work environment and how to apply can be found at
http://theossrv1.epfl.ch/uploads/Main/Openings/2019_10_theos_positions.pdf
-- 
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Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL
http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project