Patrick Rowe

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Patrick Rowe



Office: room 348, Kathleen Lonsdale Building, UCL

Tel: +44 (0) 20 76797909

Ext: 379 09

Current Research

My research will focus on the development of highly accurate water potentials at interfaces and surfaces using machine learning approaches. Current research is often hampered by a tradeoff between obtaining an accurate description of a system of interest while simultaneously minimising computational costs. There is no fundamental reason why a molecular dynamics potential could not perfectly reproduce the dynamics and structures obtained with expensive ab-initio methods; machine learning techniques represent a viable method for finding this potential.

Previous Research

University of Warwick – 2015-2016 – 12 Months

Biological light harvesting complexes are fascinating model systems for understanding excited state energy transport. Their high efficiency, coupled with their well defined and varied crystal structures makes them popular among those trying to find a path to the rational design of molecular electronics, photovoltaics and sensors. This project, begun in October 2015 within the group of Prof. Alessandro Troisi investigated the excited state energetic landscape of three biological light-harvesting systems, the Fenna-Matthews-Olsen complex, Light Harvesting II Complex and the Peridinin Chlorophyll Protein. We developed and applied a diabatisation method which would provide a universal description of the quantum and semiclassical effects involved in coupling the excited states of chromophores to produce a total description of the excitonic Hamiltonian of the proteins.

DSM Speciality Resins – 2014-2015 – 12 Months

Consumers and companies increasingly seek to move away from petrochemically sourced chemicals, as these feedstocks run low, we must be prepared to make the jump to bio-renewable chemicals. This one-year synthetic research project investigated the development of novel bio-renewable monomers for water-dispersed composite polyurethanes alongside Prof. Cor Koning (TUE Eindhoven).



Angelos sets world record at the London Marathon!

Angelos set a new world record for the “fastest marathon dressed as a scientist (male)” at this year’s London Marathon, finishing in 3:22:51. Congratulations! He also managed to raise more than £3000 in support of WaterAid, an international charity working to provide clean water and decent toilets to people all over the world. Many thanks […]


Welcome Julia!

The ICE group has a new member: Julia will be working on C-H activation at single-atom alloy catalysts. The project involves collaboration with Michail Stamatakis from UCL’s Department of Chemical Engineering. We hope you will have a pleasant and productive time in the ICE group!


Nature Reviews Chemistry on surface premelting of water ice published!

In a recently published Nature Reviews Chemistry article, titled “Surface premelting of water ice”, Ben Slater and Angelos review the current understanding of the quasi-liquid layer (QLL) that forms on the surface of ice. The review describes how advances in experimental and computational techniques furthered our understanding in the years since Faraday first postulated the […]


Angelos is trying to set a new world record!

Angelos will be running this year’s London Marathon with the aim of setting a new world record for the “fastest marathon dressed as a scientist (male)”. He is running in support of WaterAid, an international charity working to provide clean water and decent toilets to people all over the world. To find out more and […]


Patrick wins Best Poster prize at the TYC Student Day!

For his contribution “A Machine Learning Potential for Carbon”, Patrick was awarded a Best Poster prize at this year’s TYC Student Day! He was one of the four winners chosen from more than 30 poster presentations, which highlighted the excellent research conducted within the Thomas Young Centre. Patrick had also won the Best Poster prize […]


INCITE grant awarded for quantum Monte Carlo project!

The proposal titled “New Frontiers for Material Modeling via Machine Learning Techniques with Quantum Monte Carlo” was awarded a 2019 Innovative and Novel Computational Impact on Theory and Experiment (INCITE) grant by the U.S. Department of Energy’s Office of Science. The project lead by Dario Alfè and in collaboration with Gábor Csányi in Cambridge involves […]


Welcome new ICE group members!

We are happy to welcome some new people who joined the group over the last few weeks. Tai is doing a postdoc in a joint UCL – BP project. Fabian is sharing his PhD time between UCL and Imperial College. Michael already did his Master project in our group and is now continuing his work […]


Martin finished his viva!

Congratulations to Martin, who finished his viva last week! His work focused on ice nucleation, in particular on finding descriptors that indicate good ice nucleating agents and the role of dynamical heterogeneity in homogeneous ice nucleation.


The ICE group survived Hever!

Yesterday morning’s adverse weather conditions (to put it mildly) made the triathlon even more challenging. The swimmers had to cope with very cold water, the hilly bike track was dangerously slippery and the running track was mostly covered in mud. Undeterred, both teams completed the triathlon – soaking wet (even the ones that didn’t swim!) […]


Single-atom alloy Perspective made it onto the JPCL cover!

The next issue of The Journal of Physical Chemistry Letters will feature cover art from the perspective article ‘Lonely Atoms with Special Gifts: Breaking Linear Scaling Relationships in Heterogeneous Catalysis with Single-Atom Alloys’ by Matthew T. Darby, Michail Stamatakis, Angelos Michaelides, and E. Charles H. Sykes. The cover depicts the atomic structure of a so-called […]


Group gatherings