Research Group

Ramsay Memorial Fellow

Dr Chris Savory


Chris is from West Sussex, and spent his time as an undergraduate at the University of Oxford, graduating with an first class MChem degree. He spent his final year there attempting to find geometrical frustration in a variety of metal pseudohalide salts. Chris spent 42 months at UCL transitioning to becoming a computational chemist, focused on the prediction of novel materials for photovoltaics. Along the way, Chris won the Catlow Prize for best final year Computational Chemistry PhD in UCL and he defended his thesis in August 2018. Chris then took up a position as a “Faraday Fellow”, as his first post doctoral project was part of the Faraday Institution Multiscale Modelling project, focused on a complete computational understanding of degradation in cathodes. In January 2021 Chris transitioned to independence and started a prestigious Ramsay Memorial Fellowship in the Department of Chemistry at UCL. Away from the lab, Chris is a bit of a quiz enthusiast, and also likes to play squash, video games and to try to get through his collection of unread books.

Chris’ profile on Google Scholar Citations


Postdoctoral Researchers

Dr Daniel Davies


Dan is from Christchurch on the Dorset Riviera and moved to the West Country to study at the University of Bath, where he carried out a final year project on high-throughput materials screening with Prof Aron Walsh. After graduating with a first class MChem degree, he stayed in Bath to join the doctoral training program in the Centre for Sustainable Chemical Technologies. A brief stint in the synthetic labs during his training year working on hydrogen-storing metal organic frameworks earned Dan an MRes, before he came to his senses and returned to the world of computational chemistry to carry out his PhD project, also with Prof Walsh. He defended his thesis on the application of chemical heuristics and machine learning for the discovery of solar energy materials in 2018, then secured an EPSRC Doctoral Prize Fellowship at Imperial College London to spend a year applying these techniques to battery cathode materials. Dan is was a visitor to the Scanlon group in 2019 and joined fully in January 2020 to take up a PDRA position working on the discovery of mixed anion semiconductors. Away from the lab, Dan enjoys cooking, swimming (preferably in the sea), and attending rugby matches.

Dan’s profile on Google Scholar Citations

Dr Yong-Seok Choi


Yong-Seok is from and grew up in South Korea and completed his PhD degree in the department of Materials Science and Engineering at Korea University. His early PhD research focused on the atomistic interpretation on the diffusion behaviors occurring in anode materials of Na- and Li-ion batteries. During his research, he has collaborated with computational and experimental teams in KIST (Korea Institute of Science and Technology) to perform multi-scale analyses on anode materials. He then extended his earlier works to solid electrolyte to understand the physics governing battery performances. Yong-Seok will join in the SMTG in March 2020 to study computational materials chemistry for novel Na-ion battery materials as part of the Faraday Institution funded NEXGENNA project. In his spare time, he enjoys traveling and video games

Yong-Seok’s profile on Google Scholar Citations

Dr Bonan Zhu


Bonan is from China, and he studied natural sciences (physics) as an undergraduate at University of Cambridge. His final year project involved simulating optical responses of helicoidal nanostructures, which won him the Neville Mott prize for the best experimental project. After graduating with first class BA and MSci degrees, he stayed in Cambridge and joined the materials science department there as a PhD student. His study involved predicting stable interfaces structures in oxide thin films and subsequently investigating their properties. Bonan joined the group in April 2020 to work on Li-ion cathode materials as part of the FutureCat project funded by the Faraday Institution. In his spare time, Bonan enjoys walking, flying gliders and watching cat videos.

Bonan’s profile on Google Scholar Citations

Dr Maud Einhorn


Maud grew up in East London and studied her Chemistry MSci at UCL, graduating with a first. Her fourth year project was under the supervision of Professors Claire Carmalt and Ivan Parkin, investigating smart superhydrophobic and stain resistant paint technologies. Maud’s PhD was focussed on novel thermoelectric materials based on complex oxides and she submitted her PhD thesis in 2021. Her thesis was examined by Professor Steve Parker (University of Bath) and Professor Ben Slater (UCL) on the 15th March 2021, and she passed with flying colours! She is now employed as a PDRA on an Innovate UK grant foccussed on Quantum Computing for Battery Systems in collaboration with Phasecraft and Johnson Matthey. She likes travelling, swimming, and is a member of the Equality and Diversity Committee at UCL Chemistry.

Maud’s profile on Google Scholar Citations


PhD Students: 1st Supervisor

Ethan Rubinstein 2017-2020


Ethan Rubinstein grew up in London and completed his undergraduate MSci degree at UCL. His fourth year project was on “Determining the surface structures of Weyl semimetals TaAs and NbP” supervised by Dr. John Buckeridge. Continuing at UCL his PhD research project will use structural prediction methods to discover new solar cell absorber materials. When his computations yield frustrating results Ethan takes it out on the targets at ULU archery.

Zongda Xing 2017-2020


Zongda Xing is originally from Nanjing, China and currently doing his PhD project after completing his MSc courses here at UCL. In his project, he decided to take a step further from his master’s project and use ab initio methods to investigate a wider range of earth abundant materials for their photovoltaic applications. Away from lab, Zongda enjoys many outdoor activities including hiking, mountain climbing and cycling.

Warda Rahim 2018-2021


Warda is originally from Pakistan and moved to England to study a BSc (Hons) in Pharmaceutical Chemistry at QMUL. She completed her bachelors with a first class degree and received top position in each of the three years. At QMUL, she did two research projects with Dr Rachel Crespo-Otero. Her BSc project, Aggregation Induced Emission in Organic Crystals, involved excited state simulations and solid state modelling to explore the mechanism of de-excitation and excited state proton transfer in 2-hydroxychalcone derivatives. She is really excited for her PhD project with Professor David Scanlon, which focuses on finding high performance n-type oxide thermoelectric materials with low lattice thermal conductivity. In her spare time, she enjoys travelling and meditating.

Warda’s profile on Google Scholar Citations

Arthur Youd 2018-2021


Arthur grew up on a farm in wales before swapping the tractor for a test tube at UCL chemistry where he received a BSc in Chemical Physics in 2016. He then qualified as a physics and chemistry teacher at the University of Chester in 2017. Arthur soon realised he missed the intellectual challenge of chemistry but not the acetone fumes of the lab so discovered the world of computational chemistry. Arthur studied earth abundant non-toxic thermoelectric materials in his Molecular Modelling MSc under the supervision of Professor David Scanlon. His PhD focuses on applying similar electronic structure methods to battery materials. When he isn’t putting a computer through its paces he is either teaching, snowboarding or sampling the culinary delights of china town.

Kieran Spooner 2018-2022


Kieran is from Auckland, New Zealand but has lived most his life in London. He is currently studying energy materials for his PhD. He has also studied transparent thermoelectrics for his MSci in Natural Sciences and screened layered tin perovskites for photovoltaic applications as a summer student. In his spare time he plays video games, reads, runs and walks.

Joe Willis 2018-2022

Joe Willis

Joe is from East London and grew up in Essex before earning a first class BSc in Chemistry at UCL. He is currently undertaking an MRes and EngD in Molecular Modelling and Materials Science. His work will focus on developing new doping mechanisms for Transparent Conducting Oxides under the supervision of Professor David Scanlon and Dr Tien-Lin Lee at Diamond Light Source. When not studying, Joe enjoys snooker, carpet bowls, train journeys and spending probably too much time with his dog.

Luisa Herring Rodriguez 2019-2022


Luisa grew up in Germany, Spain and England, where she went on to complete the International Baccalaureate and later, at UCL, an MSci in Chemistry with first class honours. She is now undertaking a PhD in Computational Chemistry focusing on the mechanism behind gas sensing technologies. In her free time, she enjoys hiking, martial arts, yoga and cooking. She also loves speaking different languages and travelling.

Katarina Brlec 2019-2023


Katarina is originally from Bled, Slovenia but moved to London to study Chemistry at UCL, graduating with a first class MSci in 2019. During her MSci year she researched mixed-anion systems for thermoelectric energy generation under joint supervision of Prof. David Scanlon and Dr John Buckeridge. She has decided that it was so much fun that she is staying on for a PhD investigating mixed-anion semiconductors. In her free time she enjoys yoga, independently-owned pubs and bottomless brunches.

Seán Kavanagh 2019-2023


Seán grew up near Dublin, where he studied Nanoscience, Physics and Chemistry of Advanced Materials in Trinity College Dublin (TCD). After experimental research projects in Nokia – Bell Labs (“Fabrication of Efficient Heat Transfer Devices via Colloidal Template Electrodeposition”) and the Nicolosi Advanced Materials group (“Synthesis and Characterisation of Ultra-Thin Tin(II) Oxide Platelets for Energy Storage Applications”), Seán decided to take a leap of faith by pursuing a PhD in computational chemistry.
But níl aon tinteán mar do thinteán féin, so to make London feel more like home, Seán has not one but two TCD alumni as supervisors. Prof Aron Walsh of Imperial College London will join Prof Scanlon in guiding Sean on his project looking at the importance of defects in energy materials.
Outside the lab, Seán enjoys being active and outdoors, as well as listening to podcasts/audiobooks and watching movies. He also loves to travel, especially for snowboarding holidays in the winter!

Seán’s profile on Google Scholar Citations

Lavan Ganeshkumar 2020-2023


Originally from London, Lavan completed his MSci in Chemistry at UCL. In his final year of his masters he used computational methods to screen alloys of SbSI and BiSI for use in photovoltaic solar cells. His PhD will apply similar methods to investigate the next generation of lithium ion battery cathode materials. Aside from Chemistry, Lavan’s interests also include basketball, cooking and teaching.

Jiayi Cen 2020-2023


Jiayi grew up in China and moved to England at the age of 16. She graduated with a first in (MChem) Chemistry with Industrial Experience at the University of Manchester. During her placement year at Johnson Matthey, she worked on chemical recycling of plastics by catalytic pyrolysis. She later decided to explore Chemistry using computational methods and worked on modelling thermal transport in materials for thermoelectric applications in her Master’s project. Jiayi’s PhD project focuses on designing next-generation cathode materials for Li-ion battery. In her spare time, she enjoys swimming and ice-skating.

Daniel Sykes 2020-2023


Dan is from Sevenoaks in Kent and graduated with an MSci Chemistry from UCL in 2020. His 4th-year project was on examining pi-conjugated nanoobjects using xTB and DFT under the supervision of Dr Martijn Zwijnenburg. He had previously completed a Summer Research Internship under Prof. David Scanlon to research novel radiation detector materials in association with the Atomic Weapons Establishment (AWE). Dan’s PhD project will be exploring promising materials for Na-ion batteries under the supervision of Prof. David Scanlon. When he’s not working on Chemistry, Dan loves playing fun games, listening to great music, going to the gym and having an all-round great time with his friends!

Adair Nicolson 2021-2024


Adair is from North London and graduated from Durham University with an MSci in Natural Sciences (Physics and Chemistry). His master’s project investigated constraints on a fifth fundamental force using atomic spectroscopy, specifically using the spectra of hydrogen, deuterium, and helium. Adair is now undertaking a PhD in chemistry using computational techniques to predict and characterize new photovoltaic materials. In his spare time he enjoys reading, playing sports, cooking and discovering new boardgames.


Visiting PhD Students

Sa Zhang 2020-2022


Sa Zhang is from Chendu, China, and she will study in UCL as a joint student for 24 months. She is currently a PhD student of Prof. H.Y. Xiao in School of Physics at University of Electronic Science and Technology of China and her PhD project focus on the band gap tuning and interfacial electronic structure of perovskite ferroelectric superlattices based on the density functional theory (DFT). Now at UCL, she will also focus on the defects in thermoelectric systems under the supervision of Professor David O. Scanlon and H.Y. Xiao. Sa Zhang enjoys playing ping pong and badminton at her free time.


PhD Students: 2nd Supervisor

Qing Hou 2016-2020

Qing Hou

Qing Hou is originally from China. Her PhD project is on atomistic simulations of transparent conducting oxides under the supervision of Professor Richard Catlow and Professor David Scanlon. Outside the lab, Qing enjoys fitness, dancing and travelling.

Jone-Him Tsang 2016-2020


Jone is from London and studied at the University of Sussex for his undergraduate MChem degree. His fourth year project was on the ‘Synthesis of Sterically Hindered Low Coordinate Metal Centres for Small Molecule Activation’ under the supervision of Dr John Turner. Now at UCL, Jone is working on his MRes in Molecular Modelling and Materials Science. His EngD which is jointly supervised by Professor Chris Blackman and Professor David Scanlon focuses on low power metal oxide based gas sensors. Away from chemistry, Jone likes to play american football and spend his time in front of a computer.

Rachael Smith 2017-2020


Rachael Smith is from Kent and has just graduated with a first in MSci Chemistry from UCL. Her 4th year project was on ‘Stacking Disorder in AB Materials’ under the supervision of Dr. Christoph Salzmann. Rachael’s PhD project will continue to look at Stacking Disorder within materials and their potential applications which she will be studying using a combination of computational and experimental techniques under the joint supervision of Prof. David Scanlon and Prof. Christoph Salzmann. Outside of Chemistry, Rachael enjoys going to the gym and travelling.

Hugues Lambert 2017-2021


Hugues is originally from Belgium where he studied Materials Science at the Louvain School of Engineering. He worked during his Masters on the prediction of optical properties of small organic molecules using first principles methods. Now at the UCL under the supervision of Prof. David Scanlon, Dr. Tung Chun Lee and Dr. Yong-Wei Zhang (A*STAR Singapore), his focus is on the selection and modelling of organic compounds able to undergo exotic chemistry inside of cucurbiturils . Away from his workstation, Hugues loves going on exploratory trips on his bike, attempting audacious solid soap formulations from internet-scavenged recipes and reading everything he comes across.

Maham Karim 2018-2021


Maham graduated with an MSci Chemistry from University College London in 2018, before taking up a joint experiment-theory Ph.D. studentship in thermoelectrics supervised by Dr Robert Palgrave and Professor David Scanlon. For her M.Sci. project, Maham studied tin halometallates of the form A2SnX6 as highly tunable semiconductors and potential solar cell materials. In her third year she did a literature project on the different computational methods of exploring protein-ligand binding affinities. Besides chemistry Maham enjoys kickboxing, reading and coffee!

Daniel Hewitt 2018-2022


Dan grew up in a small town in west Devon before moving to London to study at UCL where he completed his undergraduate BSc in Chemistry, and later an MRes in Molecular Modelling and Materials science. His PhD project, a continuation of his work during the MRes, is focused on developing tools to enable the rapid screening of zeolites as catalysts for a range of chemical reactions, using a combination of computational and machine learning techniques. In his free time Dan enjoys cooking, gardening, poetry, and all things outdoors.

Roxanna Lee 2019-2023


Roxy graduated with an MSci Chemistry from UCL in 2018, before taking a gap year to explore the rainforest and the Great Barrier Reef in Australia. In her fourth year project she developed and modified nanostructured TiO2¬ electrodes and used these to fabricate and analyse their performance in solar cells. Her Eng. D. project will focus on inverse photoemission spectroscopy, in-situ electrochemical XPS and valence band spectrum analysis of energy materials. She also loves painting, dancing, and long distance running, and aims to compete in an international marathon before she graduates!


Masters Students 2020-2021

Irea Mosquera Lois


Irea was born in Santiago de Compostela (Spain) in 1998. She earned a Bachelor Degree in Chemistry from the University of Santiago de Compostela with a first class in 2020. During her degree, she received an Erasmus scholarship, which led to a stay in Leeds, UK. During her time as an undergraduate, she completed research internships during the summer and the last year of her degree in the Centre for Biological Chemistry and Molecular Materials. She specialised in Physical and Computational Chemistry, with the aim of computationally studying materials with renewable energy applications. Currently, she studies an MSc in Molecular Modelling, at UCL thanks to the La Caixa Scholarship. She would like to research new materials for photovoltaics, in order to reduce fossil fuel consumption. Aside from the lab, she loves hiking, travelling, reading and the ocean.

Wenjie Zhang


Wenjie is from Tian Chang city of Chu Zhou province in China. He studied in NUIST university in China for 3 years and the final year was in Reading university. He did the final project in nickel deposition on QCM in the final year of his undergraduate study. He will study in UCL as a postgraduate student. And he will start a project on materials design under the supervision of Professor David Scanlon. He likes football and basketball in his spare time.

Yanbo Zeng


Yanbo Zeng is from Chengdu, China. He joined Xi’an Jiaotong University in Suzhou China as an undergraduate student, majoring in applied chemistry. He studied at XJTLU for 2 years. Yanbo joined University of Liverpool in 2018. In 2019, he joined the summer internship program of University of Liverpool and visited University of Tribhuvan, Kathmandu, Nepal. There he worked as an assistant researcher and took part in a 6-week research program, which focused on the application of chitosan in the field of electrochemistry. Yanbo finally graduated from XJTLU and got an upper second BSc degree at University of Liverpool in 2020. In his spare time, Yanbo is fond of football, rock music and video games.

Qintao Yu


Qintao Yu is from Wuxi, China. He spent 3 years studying in NJTech university in China and one year in University of Sheffield, majoring in chemistry. He finally graduated with a first class honours degree in 2020. Currently, he studies as a postgraduate student in MSc Materials for energy and environment. And he joins the group of Professor David O. Scanlon to get further study about computational materials design. During his spare time, Qintao is interested in traveling, playing guitar and console games.

Jiakai Chu

Jiakai Chu

Jiakai was born in China in 1995. He studied Chemical Defense in Engineering University of PAP (Xi’an 2014-2017) and in Institute of NBC (Beijing 2017-2018) where he was awarded many prizes. Then he received a Bachelor Degree in Chemistry from Newcastle University (2018-2020) with a first class in 2020. During his degree, he helped organise an activity for the entrepreneurial guidance in the Career Development Department in Chinese Society of Newcastle University. During his time as an undergraduate, he completed internships in China Life Insurance Company Limited as a assistant and in Jiangsu Changzhou Haoshijie Chemical Industry Co., Ltd. as a laboratory technician during summers. Jiakai finished his final project in Modern Material Technologies of OLED Devices and received a first class grade. Currently, he studies MSc Materials for Energy and Environment in UCL and joins the group of Professor David Scanlon to get further study. Outside the lab, Jiakai is ambitious to start his own business and enjoys fishing, climbing, football, games, playing the ukulele and writing poems.

Yinan Zhang

my picture_Yinan Zhang

Yinan is from Jiangsu, China. She studied New Energy Science and Engineering at Northeastern University in China for 4 years. Her fourth-year project was on The Reduction of Detailed Chemical Reaction Mechanism of CO/H2 Syngas at O2/CO2 Atmosphere under the supervision of Professor Fusheng Yan. She is currently studying as a postgraduate student at UCL, majoring in Materials for Energy and Environment, and joins the research group of Professor David O. Scanlon to start a new project on energy materials. Yinan enjoys traveling, drawing, as well as puzzles and logic games in her spare time.

Helen Spong


Helen is from North London. She is currently undertaking her MSci project on ‘Understanding Alloys of Sb2Se3 and Sb2S3 for Solar Cell Applications’. She loves animals (has 5 cats and a dog!) and in her spare time enjoys going to the gym, playing badminton, and travelling.

Alp Eren Samli


Alp was born and raised in Turkey before moving to London in 2009. His fourth year MSci Chemistry research project is on re-evaluating selenium as a solar absorber. In his spare time, Alp enjoys playing video games and watching anime.

Charlotte Hardy


Charlotte is from North Yorkshire and completed her undergraduate years at UCL as an MSci Natural Sciences student, majoring in inorganic and materials chemistry. She is now continuing into her fourth year with a research project supervised by Prof. David Scanlon, using computational modelling to look at a family of novel semiconductors for their thermoelectric ability. Her main interest is in materials with applications for renewable energy conversion or storage. She enjoys travelling, and this has made her passionate about energy equity. Her spare time is usually spent in the gym, running, or running to the gym. Talents include 100m sprints and never missing a +C when integrating.

Daniel Giallombardo


Daniel was born in London in 1997. He graduated from the University of Kent with an upper second-class degree in chemistry. For his final year project at Kent Daniel worked on optimising a single layer organic solar cell. He joined UCL in 2020 and is currently studying an MSc in Materials for Energy and Environment. Daniel is furthering his passion for renewable energy by conducting his masters research project in photovoltaics. Outside of his academic interests Daniel enjoys travelling, cooking and playing tennis.

Eli Audin


Eli grew up in London, before moving to the southwest to complete a BSc in Chemistry at the University of Bristol. Having missed the extortionate charms of London, he is now a Masters student at UCL working in Professor David Scanlon’s group. When the chemistry becomes too much, Eli can be found making a frozen Daquiri, watching a TikTok, enthusiastically kicking a football, or enjoying his music a bit too loudly.


Group Alumni

Wei Winnie Leung, PhD Student 2016-2020


Winnie Leung is originally from Hong Kong and moved to England when she was 17. She graduated with a first in MSci Chemistry and decided to stay on for her PhD project, jointly supervised by Prof. David Scanlon and Dr Robert Palgrave. Her PhD project was about transparent conducting metal oxides for renewable energy applications, which she was studying using a combination of computational and experimental techniques. Winnie likes to go swimming and eats a lot of cakes! (Work hard and eat hard!) she also likes travelling and her dream is to travel to Mars one day! Oh and she is also a snapchat addict so watch out for Winnie if she’s around! Winnie passed her PhD viva, examined by Dr Yang Xu and Dr Geoff Hyett in Auguts 2020, and she is now working as a trainee R&D Tax Analyst for Kene Partners.

Dr John Buckeridge, Senior Research Fellow 2018-2019


John is from Cork, and as a native of the rebel county naturally attended University College Cork where he obtained a first class B.Sc. in Physics. He subsequently did research for his Physics PhD at the Tyndall National Institute in Cork (awarded by UCC) under the supervision of Stephen Fahy, where he developed models of transport and defect structures in highly-mismatched semiconductor alloys for applications in energy harvesting and optoelectronics. Following his PhD, he moved to London in April 2011 to begin postdoctoral research at UCL, where he has remained since, working with Aron Walsh and Richard Catlow before moving the Scanlon Group in May 2018. His research focuses on the development and application of computational techniques to study the physical properties of energy materials, with an emphasis on understanding the importance of defects. He has modelled the properties of systems ranging from wide gap insulators to zero gap semimetals. As the father of young boy, John has no free time whatsoever, but when away from the office enjoys taking his family to visit parks, museums and historical sites through membership of various national organisations. Other likes include long distance running, cycling, football, gardening, real ale, crime fiction, action movies and ambient music. John left the SMTG in October 2019 to take up a Lectureship at London South Bank University.

John’s profile on Google Scholar Citations

John’s personal website

Dr Ben Williamson, PhD 2015-2018, PDRA 2018-2019

Ben profile_square

Ben Williamson is originally from Rochester in Kent and in April 2018 defended his PhD thesis titled “Understanding the Electronic and Thermodynamic Properties of Wide Band Gap Materials” under the supervision of Prof David Scanlon. His projects involved the study and enhancement of existing transparent conducting oxides, photocatalysts and photovoltaics. Among these applications he has studied the thermodynamic and optical properties of defects and dopants, electronic structures and phonons as well as materials prediction. Prior to this Ben carried out a Master’s project on “Computational Design of Next Generation p-type Semiconductors” at UCL. His PDRA project focused on mixed-anion semiconductors for a range of energy generation and optoelectronic applications. Outside of computational chemistry, Ben enjoys travelling, music and culture, is an illustrious tenor, connoisseur of flapjacks and a keen cyclist. Ben was the first Masters Student in the group, and the first PhD student to graduate from the group! He has now moved to take up a PDRA position at the Ceramics Group at the Norwegian University of Science and Technology to work with Professor Sverre Magnus Selbach.

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Dr Adam Jackson, PDRA 2016-2019


Adam grew up in London before moving to the University of Bath to obtain an MEng in Chemical Engineering. Through the inter-disciplinary Center for Sustainable Chemical Technologies he found himself working on energy materials in the computational chemistry research group of Professor Aron Walsh. This led to a PhD studying the thermodynamics of the Cu-Zn-Sn-S system for solar energy materials. At UCL Adam was working to understand and improve a range of transparent conducting oxide materials. Adam enjoys producing, performing and criticising music as well as attending live events. Likes: thermodynamics, real ale, Emacs, black coffee, Arctangent Festival. Dislikes: Radio One, ineffective hand dryers. Adam has now taken up a permanent position at the STFC Scientific Computing Division at Harwell.

Adam’s profile on Google Scholar Citations

Dr Alex Ganose, EngD Student 2014-2018


Alex Ganose is from Manchester, he defected to London to study Natural Sciences at UCL where he received a first. His 4th year project was with Dr Hugo Bronstein, synthesising novel covalent organic frameworks for use in gas storage. Alex’s PhD project focused on ab initio prediction of new materials for photovoltaic cells. He clearly spent too much time in front of a computer, and during his EngD he ended up winning the Violet Horshall Prize for best student on the MRes in Molecular Modelling and Materials Science in 2015, the UCL Computational Chemistry poster Prize in 2017, the prize for best use of ARCHER (The UK’s National Supercomputer) in 2017, a Materials Research Society (MRS) Graduate Student Award (Silver Medal) at the 2017 Boston MRS, an MRS Graduate Student Award (Gold Medal) at the 2018 Spring MRS in Phoenix, and the Catlow Prize for best final year Computational Chemistry Student in 2018. Alex is now a PDRA in the group of Anubhav Jain at Lawrence Berkeley National Lab in the US.

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Dr James Pegg, EngD Student 2013-2017


James T. Pegg obtained a MSc in Chemistry from the University of Nottingham. There, his final year project entitled ‘Investigation 3+2 Cycloadditions Towards the Total Synthesis of Securinine’ specialised in Organic Chemistry. He moved to University College London where he obtain a MRes in Molecular Modelling and Materials Science in 2014. His EngD focused on the computational modelling of the actinide oxides, and he defended his thesis in May 2018. He is especially interested in teaching and demonstrating and in his spare time he enjoys pubs, walks and traveling. James is currently a PDRA in the group of Dr Kim Jelfs at Imperial College London.

James’ profile on Google Scholar Citations


Previous Group Visitors

Dr Katherine Inzani 2017-2018


Originally from London, Katherine studied for an MEng in Materials Science at the University of Oxford before moving to Norway. She completed her PhD in the Ceramics Group at the Norwegian University of Science and Technology with a thesis titled, Structure-Property Relations of Reduced Molybdenum Trioxide. This led to a post-doc position researching oxide materials for intermediate band solar cells, for which she hopes to gain knowledge and inspiration during her visit to Dr David Scanlon’s group. Katherine enjoys cabin trips, wildlife and the cold weather of Norway but prefers the choice of restaurants in London.

Katherine’s profile on Google Scholar Citations

Zhenyu Wang 2016-2018


Zhenyu Wang is from Xi’an, China, and he will study in UCL as a joint PhD student for 18 months. He used to work on the catalytic cathodes of lithium air batteries (LABs). Now at UCL, Zhenyu will start a new project focused on the new materials for hybrid perovskite solar cells under the supervision of Dr David Scanlon and Professor Chunming Niu. Zhenyu enjoys material structure characterization and properties prediction of new materials, and is familiar most of the popular density functional theory packages. Outside of the lab, Zhenyu likes to play ping pong and spend time delving into the go game.

Zhenyu’s profile on Google Scholar Citations