Posts in category PhD Students

Michael Davies

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Contact

Email: michael.davies.14@ucl.ac.uk

Office: Room 357, Kathleen Lonsdale Building, UCL

Tel: +44 (0) 7707805571


Current Research

My research focuses on heterogenous ice nucleation. The formation of ice is a ubiquitous phenomenon whose influences range from global to nanoscales, and play a crucial role in science and industry (e.g. cryopreservation, aviation, geophysics, weather & climate science). However, there is a lack of understanding of the nucleation process at the molecular scale. We use classical molecular dynamics simulations combined with enhanced sampling and/or coarse grained models of water to over come the difficulties associated with nucleation studies.

Fabian Thiemann

IMG_8327 Contact

Email: fabian.thiemann.18@ucl.ac.uk

Office: room 348, Kathleen Lonsdale Building, UCL

 

Research interests

My research focuses on the interaction of water at the interface with boron nitride. This material represents a promising approach and alternative to other materials (e.g. graphene) for membranes used for water purification, harvesting blue energy, crude oil separations, and photocatalysis. Classical molecular dynamics simulations could provide insight into the mechanisms and physics behind the adsorption and flow processes in ultra-confined spaces. However, current force fields for the solid/fluid interaction are not able to capture all effects occurring at the interface. To this end, new potentials are aimed to be developed involving machine learning techniques to obtain the accuracy of ab-initio (DFT) calculations. This project is in collaboration with Erich A. Müller from the Molecular Systems Engineering group at Imperial College.

 

 

Patrick Rowe

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Patrick Rowe

Contact

Email: patrick.rowe.16@ucl.ac.uk

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).

Wei Fang

Contact details:

Office: 301, KLB, University College London
Tel: +44 (0) 20 7679 7909 (Ext 379 09)
Mobile: +44 7463 209982
Email: wei.fang.13@ucl.ac.uk; weifang2321@gmail.com

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Philipp Pedevilla

Philipp Profile Image 

Contact details

Office: Room 348, Kathleen Lonsdale Building, UCL
Tel: +44 (0) 20 7679 7909
Ext: 379 09
Email: p.pedevilla.12@ucl.ac.uk

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Yasmine S. Al-Hamdani

 

Photo of Yasmine S. Al-HamdaniContact details:

Office: Room 348, Kathleen Lonsdale Building, UCL
Tel: +44 (0) 20 7679 7909
Ext: 379 09
Email: y.al-hamdani@ucl.ac.uk
Web: www.ucl.ac.uk/ice

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News

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The ICE group is moving!

Angelos has accepted a position in Cambridge, and so the ICE group is moving! It’s going to be a reasonably slow multi-year phase transition. You can find more information in the official announcement. Congratulations, Angelos, and all the best for this exciting new opportunity!

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Angelos appears on Clarivate’s ‘Highly Cited Researchers’ list!

Angelos has appeared on Clarivate’s ‘Highly Cited Researchers’ list for the second year in a row. Inclusion on the list is based on the number of recent publications that ranked in the top 1% by citations in a given field and year. For further details see: https://www.ucl.ac.uk/news/2019/nov/ucl-academics-named-global-list-influential-researchers Congratulations!

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Martin wins PhD prize!

Martin won the Marshall Stoneham prize for his PhD thesis on “Merging data-driven and computational methods to understand ice nucleation”. It is awarded by the Condensed Matter & Materials Physics Group (CMMP) for outstanding postgraduate research. Well done!

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Fabian wins Best Poster prize at the MMM Hub conference!

The second annual Materials & Molecular Modelling (MMM) Hub Conference and User Meeting took place on 3-4 September. Many excellent talks demonstrated how the computational resources provided by the MMM Hub are used to tackle challenges in many areas of biological, chemical, and physical research. This was also illustrated by more than 50 posters, spanning […]

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Science and sports in York

Last weekend, the ICE group gathered in York for the International Materials Simulation Workshop. Current and former members as well as collaborators talked about their recent projects and discussed how to tackle society’s big challenges, utilize advancements in methodology and make the most of fruitful collaborations. The meeting highlighted the diverse range of problems that […]

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Triple Triathlon at Castle Howard in support of WaterAid

The ICE group will be participating in the Castle Triathlon series for the third year in a row. This time, three relays teams are going to compete at Castle Howard, near York, on 21 July. They will be swimming, cycling and running a combined distance of roughly 280 km! As part of the tradition, the […]

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Open postdoc position (University of Manchester & ICE group)

A 2-year postdoc position is available in the Condensed Matter Physics group at the University of Manchester. The project will be carried out in collaboration with the ICE group and involves developing and applying theoretical models to understand the anomalous dielectric behaviour of water under confinement (Fumagalli et al. Science 360, 1339-1342, 2018). You can […]

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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 […]

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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!

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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 […]

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Group gatherings