Doctoral Student in Computational Chemistry

ETH

Full-time Zürich, Zurich CAR

Posted:

February 25, 2026

Location:

Zürich, Zurich, Switzerland

Job Description

 
  Job description   
  Objectives:    
 Characterization of the structure-permeability relationship of macrocycles using molecular dynamics simulations and comparison with NMR data  
 Development of novel conformation- and environment-dependent 3D descriptors based on the MD simulations 
 Development and refinement of machine learning models for permeability prediction for macrocycles 
  Secondments planned within the framework of the Doctoral Network  : 
 Roche, Switzerland, C. Kroll: Experimental determination of PAMPA permeability coefficients for macrocyclic library 
 U. Uppsala, Sweden, M. Erdelyi: Conformational studies by NMR experiments 
 Bayer, Germany, D. Barber: Conformational sampling of macrocycles 
  Preferred starting date  : early . 
 
  Profile   
  Applicants   should hold a M.Sc. in chemistry, computational...
                

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Job Overview

Job Type: Full-time

Location: Zürich, Switzerland

Posted: February 25, 2026

Deadline: April 06, 2026