Postdoc in end-to-end modelling at University of Surrey

Prof. Tao Chen at the University of Surrey in the United Kingdom has a postdoctoral opening for a one-year project. The topic is “‘Developing an end-to-end modelling workflow for predicting dermal absorption”. Prof. Chen provided this description:

“In-silico prediction of transdermal absorption is important for dermatological drugs, skin care as well as prevention of environmental damage and virus transmission. A leading edge multiscale physiologically-based pharmacokinetics (PBPK) model of transdermal absorption has been develop at the University of Surrey in collaboration with Unilever. This multiscale approach combines several advanced in silico modelling methods including molecular dynamics, quantum chemistry, quantitative structure property relationships and computational fluid dynamics. This project aims to build a new workflow to integrate the existing multiscale software tools, including molecular dynamics (using Gromacs), quantum chemistry (using COSMOmic) , our latest physiologically-based pharmacokinetics (PBPK) model of dermal absorption, and computational fluid dynamics (CFD). Scripting programming languages will be used to link these diverse tools into an established workflow software (e.g. Pipeline Pilot). Finally, the utility of the workflow tool will be demonstrated by investigating the impact of product attributes on dermal deposition and absorption.”

Prof. Chen is looking for a candidate with:

  • a PhD (or about to complete one)
  • strong computer simulation and computer programming capabilities
  • experience in mass transfer, fluid dynamics, or molecular dynamics.

Start date is as early as October 2021.

To inquire about this position, please contact Prof. Chen directly at


Thomas A. Adams II

Associate Professor of Chemical Engineering at McMaster University