Postdoc Opportunity: Computational Chemistry & AI at TUD Dresden University, Germany

Summary

The Faculty of Chemistry and Food Chemistry, Chair of Inorganic Chemistry I at TUD Dresden University of Technology is offering a full-time, EU-funded project position for a Research Associate / Postdoc (m/f/x). The successful candidate will work on developing adsorption databases, AI-supported algorithms for material selection, and machine learning process simulations for fluorinated gases (F-gases) in advanced crystalline adsorbents.

Postdoc Opportunity: Computational Chemistry & AI at TUD Dresden University, Germany

Designation

• Research Associate / Postdoc (m/f/x)

Key Job Details

Research Area

• Computational Chemistry & Materials Science
• Gas Adsorption & Porous Materials
• Data Science, AI & Machine Learning for Material Selection
• Process Simulation & Environmental Technologies

Location

• Dresden, Germany (TUD Dresden University of Technology)

Eligibility / Qualification

• Degree: Very good university degree (M.Sc. or equivalent) in chemical engineering, materials sciences, chemistry, computational science, physics, data science, or a closely related field.
• Specialization & Skills:
  • Specialization in computational chemistry, data science, porous materials, and FAIR principles.
  • Practical experience in simulating and analyzing adsorption data and managing databases.
  • Strong programming skills and deep knowledge of porous materials/adsorption processes.
• Early Career Criteria:
  • Junior researchers who completed studies or PhD no more than 6 years before April 1, 2026 (extension of 2 years per supervised child born between completion and proposal submission).
  • Specific conditions apply regarding previous ESF/ESF Plus funding (doctoral project must be completed or dissertation submitted).
• Track Record & Soft Skills:
  • Excellent individual performance criteria (e.g., publications resulting from Master/PhD thesis, awards).
  • High motivation for interdisciplinary collaboration (especially Life Cycle Assessment – LCA) and environmental digitalization.
  • Excellent written and verbal communication skills in English.

Job Description

• Database Creation: Establishing a comprehensive database for adsorption data of fluorinated gases (F-gases).
• Gas Adsorption Simulation: Simulating gas adsorption isotherms for relevant F-gases in advanced crystalline adsorbents, taking into account competitive water adsorption (humidity) effects.
• AI & Machine Learning: Developing AI-supported algorithms for material selection in close feedback loops with experimentalists, alongside machine learning for process scaling.
• System-Level Simulation: Process simulation of adsorption processes at the system level.
• Interdisciplinary Collaboration: Close interaction with partner groups within the joint project, active participation in project meetings, and integration into contributing networks.
• Documentation & Teaching: Publishing scientific articles, presenting at national/international conferences, and contributing to teaching and student supervision.

How to Apply

1. Prepare a detailed application containing standard application documents quoting reference number w26-187.
2. Applications must be submitted exclusively by email as a single combined PDF file to:
   • Email: sekretariat-ac1@mailbox.tu-dresden.de
3. Submissions via the TUD SecureMail Portal are preferred.

Data Protection Note: Information regarding data processing rights is available on theTUD Data Protection Page.

Last Date for Apply

• August 31, 2026 (stamped arrival date of the time stamp on the email server of TUD applies)

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