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Postdoc Research Group Cheng

  • Klosterneuburg (Vienna), Austria
  • € 57,680 gross/year*
  • Application deadline: flexible start date

The Cheng group is particularly interested in developing methods to extend the scope of atomistic simulations, in order to understand and predict materials properties that are hard to access. The group deploys and designs a combination of techniques ranging from machine learning, enhanced sampling, path-integral molecular dynamics, and free energy estimation. The successful candidate will use and develop state-of-the-art methods, including machine learning techniques and advanced molecular dynamics, to study thermodynamic and transport properties of technologically-relevant systems such as molecular crystals, superionic conductors, and solutions.

Your profile:

  • A PhD in Chemistry, Physics, Material Science, or related fields
  • Expertise in one or more areas of atomistic modelling, statistical mechanics, electronic structure methods, scientific programming, and machine learning
  • Solid publication record matching the current career stage
  • Experience with high-performance computing
  • High motivation and a proven ability to conduct independent research, as well as to work effectively as a member of a research team
  • Excellent command of English (working language)

Application documents: one-page cover letter, CV including publication list and the contact information of two referees to, with “HIRING POSTDOC” in the subject line. Evaluation of candidates will start immediately, and continue until the position is filled.

ISTA is growing. Grow with us!

Institute of Science and Technology Austria (ISTA) is a constantly growing international institute for conducting frontier research in mathematics, computer science, life sciences & physical sciences. We strive to recruit passionate professionals from across the world over all fields who strive to support our goal of excellent research. Located within a beautiful campus on the outskirts of Vienna, we offer multiple opportunities for personal growth in a stable working environment. Get an insight!

ISTA promotes a diverse and inclusive working environment and is committed to the principle of equal employment opportunity for all applicants, free of discrimination. All employment decisions at ISTA are based on job requirements, qualifications, merit and organizational needs. We strongly encourage individuals from underrepresented groups to apply.

Your benefits

Icon Weiterbildung Education & training
Icon Kantine Cafeteria
Icon Kinderbetreuung Childcare
Icon Anbindung Free shuttle bus
Icon Gesundheitsmaсnahmen Multiple health offers
Icon Altersvorsorge Pension insurance

*This position comes with possible overpayment depending on education, qualification and work experience. For more information on how ISTA processes your personal data, please refer to

Your Contacts


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