Physics, Accuracy and Machine Learning: Towards the next-generation of Molecular Potentials

PHYMOL: A Marie Skłodowska–Curie Actions Doctoral Network (MSCA DN) on Intermolecular Interactions

In the PHYMOL collaboration we bring together leading experts in the fields of molecular simulations, quantum chemistry, crystal structure prediction, intermolecular modelling, spectroscopy, machine-learning, and nano-clusters, from 12 academic institutes and national laboratories, and 4 industrial entities, in an ambitious programme of research and training to develop a new generation of researchers in the field of molecular modelling. PHYMOL combines the most advanced physical understanding of molecular interactions with machine-learning in a symbiotic manner that will lead to a new generation of researchers capable of advancing solutions to problems of importance in healthcare, energy and the environment, as well as basic science. The private sector is an integral part of PHYMOL and participates in management, training and research. With this union of forces from academia, industry from the EU and the US, we seek to keep molecular simulation techniques at the fore-front of industry and science in the EU.

PHYMOL is both a research and training network. We need researchers equipped with a deeper physical understanding of molecular interactions as well as profound expertise in computer-aided learning: a single focus on just one of these skills will not get us to where we wish to be. Machine learning (ML) needs accurate data, and while we have some of the most accurate ab initio methods available (many developed by members of this consortium),we know very well their limitations and shortcomings. Therefore, in PHYMOL we have set up a research and training programme that spans all areas of importance in the field of intermolecular interactions: the development of methods, generation and testing of reference data, development of models using physical ideas and machine learning, and the applications of these models in high-accuracy spectroscopic calculations and large-scale molecular dynamics computer simulations of complex systems.

The PHYMOL doctoral network will see 11 doctoral candidates (DCs) recruited across the 10 participating institutions in the UK and EU.



News & Events

PHYMOL Kick-Off meeting from the 12th to 15th of September in Luxembourg

We have an exciting kick-off meeting planned in Luxembourg from the 12th to the 15th of September 2023. This meeting marks the start of the scientific programme of PHYMOL. For details see the Events tab on this page, or go directly to the Kick-Off meeting web site.

Update on recruitment: DC5 and DC6 still open!

We have now filled all but DC5 and DC6: if you are interested in these positions please get in touch with Alston J. Misquitta (, Louis Lagardere ( and Jean-Philip Piquemal ( 

Still recruiting for DCs 5, 6, 7 and 8

We are still recruiting for DC5, DC6, DC7 and DC8. So please apply following the information on the Recruitment page. We aim to make offers to start from 1st September 2023. 

Still Recruiting!

We are still recruiting for PHYMOL! Although the initial deadline has passed, we are very much still in the recruitment stage, so please submit your applications following the instructions on the Recruitment page on this website.

PHYMOL starts!

Today is the first official day for the PHYMOL MSCA Doctoral Network. We are now accepting formal applications for the 11 PhD positions. All existing pre-applications will now be considered as formal applications.

Key Facts

  • Scientific beneficiaries: 10
  • Partners: 6
  • Number of countries involved: 10
  • Budget: approx. €2.6M from Horizon Europe and €300K from UKRI.
  • Number of funded doctoral candidates: 11
  • Coordinated by Prof Piotr Zuchowski from Universytet Mikłaja Kopernika, Torun
  • PHYMOL is a doctoral network funded mainly under the Horizon Europe scheme, and also by the UK Research and Innovation



Piotr Zuchowski

Project Manager:

Agata Wiśniewska

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