Stamatakis Research Group

Multiscale Computational Catalysis & Materials Science

The research group gathered for lunch in October 2019.

Principal Investigator

Head-shot of Dr Michail Stamatakis.

Dr Michail Stamatakis

Michail holds a Diploma in Chemical Engineering from the National Technical University of Athens (Greece), and a PhD from Rice University (Houston, TX, USA). Prior to joining UCL he performed post-doctoral research at the University of Delaware (Newark, DE, USA) under the supervision of Prof. Dionisios G. Vlachos. He is currently Associate Professor of Chemical Engineering at UCL.

Full CV (opens pdf in new window)UCL Chem. Eng. pageGoogle Scholar profile.

Post-Doctoral Researchers

Head-shot of Dr Hector Prats Garcia.

Dr Hector Prats Garcia

Hector studied Chemistry at the University of Barcelona (Spain). In 2015 he started his PhD also at University of Barcelona with Prof. Francesc Illas and Prof. Ramón Sayós, and in 2019 he defended his Thesis on “Monte Carlo based methods applied to heterogeneous catalysis and gas separation”. Then, he spent one year (2020-2021) at the Technical University of Denmark working on hydrogen redox reactions under the supervision of Dr Karen Chan in the group of Prof. Jens Nørskov. In March 2021, Hector joined the lab as a Marie Curie Fellow, working on computational screening of transition metal carbides for methane partial oxidation.

Google Scholar profile.

Head-shot of Dr Miguel Pineda Rodriguez.

Dr Miguel Pineda Rodriguez

Miguel obtained a B.Sc. in Physics from the University of Los Andes (Merida, Venezuela), and a PhD in Physical Chemistry at Leibniz University Hannover (Hannover, Germany). After his PhD, he worked as researcher in world leading interdisciplinary research institutions in Spain, Belgium, and UK, and as a Lecturer in Physics at Simon Bolivar University in Venezuela. He joined our lab for the first time in 2016 and he is currently working on method development, aiming at harnessing the power of distributed and emerging architectures for kinetic Monte Carlo simulation.

Head-shot of Dr Julia Schumann.

Dr Julia Schumann

Julia studied Chemistry at the University Tübingen (Germany). In 2011 she started her doctoral studies at the Fritz-Haber-Institute Berlin with Prof. Robert Schlögl, and in 2015 she defended her Thesis on “Cu,Zn-based catalysts for Methanol Synthesis” at the Technical University Berlin (Germany) with “summa cum laude”. She spend two years (2016-2018) at Stanford University (California, USA) investigating transition metal surfaces for higher alcohol synthesis in the group of Prof. Jens Nørskov. In March 2019, Julia joined the lab in a joint position with Prof. Angelos Michaelides’s group in the Department of Physics. Her research focuses on single atom alloys for energy conversion reactions.

Google Scholar profile.

Head-shot of Dr Romain Reocreux.

Dr Romain Réocreux

Romain completed most part of his studies in Chemistry at the École Normale Supérieure de Lyon, France (BSc & MSc in Sciences of Matter, MSc in Chemical Education). He then joined the group of Prof. Philippe Sautet and Dr Carine Michel in 2014, for his PhD in Computational Catalysis. Using a large range of ab initio techniques (transition state search, AIMD, rare-event methods) he studied the adsorption and reactivity of biomass compounds on Pt(111) and their role in the stabilisation of γ-alumina in hot liquid water. In November 2017, he joined the lab as a Research Associate and is now working on the multi-scale modelling of alcohol oxidation on single-atom alloy metal catalysts.

Google Scholar profile.

Graduate Students

Head-shot of Weitian Li.

Weitian Li

Weitian completed his undergraduate studies at the Beijing University of Chemical Technology, China, in 2019. He subsequently obtained an MSc in Materials for Energy and Environment at University College London in 2020, before joining the lab in the same year as a PhD student. His work focuses on the catalytic pathways of biomass conversion to fuels and chemicals on single atom alloy catalysts, and adopts quantum chemistry and statistical mechanics methods.

Head-shot of Teng Martin Ma.

Teng Martin Ma

Teng completed his BSc in Chemical Engineering and Technology from Tianjin University, China, in 2015. He subsequently joined Carnegie Mellon University, USA, and obtained an MSc in Chemical Engineering in 2016. After graduating from Carnegie Mellon, he worked at Synfuels China Technology Co. Ltd. in Beijing for 2.5 years, before joining the lab for PhD. His research project aims at elucidating the strong interactions between nanoalloy components and supports, using neural network potentials.

Head-shot of Sai Sharath Yadavalli.

Sai Sharath Yadavalli

Sai Sharath completed his Bachelor’s degree in Chemical Engineering from the National Institute of Technology Trichy, India in 2016. He subsequently worked as a Process Engineer at Dr. Reddy’s, a multinational pharmaceutical company, for about a year. In 2017, he got admitted at the University of Manchester to pursue an MSc in Advanced Chemical Engineering. His Master’s thesis involved molecular dynamics simulations to compute the diffusivity of H2S gas in liquid benzene at oil reservoir conditions. He joined the lab in September 2018 for a PhD on “computational design of poisoning-resistant catalysts for methane-steam reforming”.

Head-shot of Giannis Savva.

Giannis Savva

Giannis possesses a 5-year MSc equivalent degree in Applied Physics and Mathematics and an MSc degree in Computational Fluid Mechanics, both obtained from the National Technical University of Athens, Greece in 2016 and 2018 respectively. During the Summer of 2018 he completed an Erasmus+ internship in the lab, focusing on implementing fast queuing systems in kinetic Monte Carlo simulations of catalysts. He is currently pursuing his PhD in the lab, and his work aims at developing novel methods to accelerate kinetic Monte Carlo simulations of reactive systems.

Head-shot of Konstantinos Papanikolaou.

Konstantinos Papanikolaou

Konstantinos completed his undergraduate studies at the University of Patras, Greece. He subsequently obtained a MSc in Chemical and Process Engineering at University College London and a PDEng degree from TU Eindhoven, Netherlands, after which he joined the lab in September 2017 as a PhD student. He is working on ab initio kinetic Monte Carlo simulations of chemistries involving small molecules on transition metal catalysts, but also single atom alloys and highly dilute alloys.

Past Members

Display past members of the group.