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PhD position on machine learning for molecular m ... (No replies)

horsch
3 years ago
horsch 3 years ago

Deadline: 31st May 2023

Apply here: https://www.jobbnorge.no/en/available-jobs/job/244157/phd-position-on-machine-learning-for-molecular-modelling-and-simulation-within-data-science

Position type: Government pay scale position code 1017; these positions are normally placed in pay grade 54 (NOK 501,200 as of 2022/23; should now increase by NOK 31,000 for employees affiliated with the NTL union, and probably the same or comparable for all others).

The Faculty of Science and Technology (REALTEK) at the Norwegian University of Life Sciences (NMBU) invites applications for a full-time doctoral candidate position related to process data technology. The position is for a period of 3 years, or up to 4 years if teaching and other work duties are agreed.

Process data technology is the application of knowledge-driven methods within domains relevant to process engineering – it is one of the fields of research within the Department of Data Science (Institutt for datavitenskap) at REALTEK.  The proposed PhD research will evaluate how machine learning can be used to improve molecular models. This doctoral position will be associated with the Department of Data Science, with co-supervision from the Materials Informatics group at REALTEK and external co-supervision by Simula in Oslo (http://www.simula.no).

The preliminary research plan for this doctoral position, subject of course to discussion and revision along the way, looks as follows:

  • Familiarization with the methodology and the state of the art.
  • Cellular neural network surrogate model of thermodynamic and configurational properties.
  • Multicriteria optimization of pair potentials over high-dimensional objective spaces.
  • Methodology implementation and assessment for machine learning pair potentials.
  • Data integration and force field development for water and aqueous solutions of vanadium.
  • Integration and documentation of results, critical discussion, and overarching perspective.

The successful applicant must meet the conditions defined for admission to a PhD programme at NMBU. Accordingly, only candidates who have completed their Master or equivalent degree by the application deadline (31st May 2023) can be considered. Applicants are recommended to have a look particularly at Sections 5.1 and 5.2 within NMBU's general PhD regulations: https://www.nmbu.no/download/file/fid/29209

Required academic qualifications:

  • Master or equivalent diploma or other degree from a course of studies related to process data technology, including but not limited to data science, chemical/mechanical engineering, industrial economics, computer science, chemistry, physics, or applied mathematics.
  • Statistical mechanics or thermodynamics competency demonstrated either by a transcript from the course of studies or in another way.
  • Programming competency demonstrated either by a transcript from the course of studies or in another way.
  • Fulfill all the requirements imposed by law and NMBU’s regulations.

Desired competencies (good to have, but can also be acquired on the job):

  • Familiarity with common methods/models in molecular simulation.
  • Advanced programming competency, including in at least one compiled language such as Fortran, C++, Java, etc., sufficient to co-develop the ms2 code (http://www.ms-2.de) which is written in Fortran.
  • Experience with HPC environments and architectures.
  • Some knowledge of semantic technology and/or machine learning.
  • If you are interested in a four year contract including teaching, also teaching experience and interest in contributing to teaching within data science.

Industry experience is a plus. If you do not know Norwegian or another Scandinavian language, you will be encouraged and supported at learning Norwegian since it is the main working language at NMBU. You are welcome to contact Martin Thomas Horsch ([email protected]) about this; however, all applications will need to go through the official jobbnorge.no portal as referenced above - applicants have to file these themselves, it is not enough to just send an email.




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Ab initio (from electronic structure) calculation of complex processes in materials