个人简介

Angelos Michaelides obtained a PhD in Theoretical Chemistry in 2000 from The Queen's University of Belfast. Following this he worked as a post-doctoral research associate and junior research fellow at the University of Cambridge and then at the Fritz Haber Institute, Berlin, as an Alexander von Humboldt research fellow. Subsequently he was promoted to staff scientist and research group leader at the Fritz Haber Institute. In 2006 he moved to University College London, where since 2009 he has been Professor of Theoretical Chemistry. He has received a number of honours and awards for his research including the Royal Irish Academy Young Irish Chemist of the Year (2000), a visiting professorship at École Normale Supérieure de Lyon (2004), a European Young Investigator Award (2005), a European Research Council Startup Grant (ERC), and a Royal Society Wolfson Research Merit Award (2012). He was also the 2010 recipient of the Royal Society of Chemistry Marlow Award "For his innovative contributions in broad areas of surface and physical chemistry, with particular relevance to heterogeneous catalysis and improved understanding of the water-ice interface". In 2012 became a Fellow of the Royal Society of Chemsitry.

研究领域

Computational Chemistry

Our research aims at understanding important phenomena in surface- materials- and nano-science. Using concepts from quantum mechanics and statistical mechanics, we apply and develop methods and computer simulations to study processes of relevance to catalysis - such as the properties of metal surfaces and chemical reactions at surfaces - and processes of environmental relevance - such as the nucleation of ice or the dissolution of salts. Water and ice are major focuses of our work.

近期论文

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Cooperative interplay of van der Waals forces and quantum nuclear effects on adsorption: H at graphene and at coronene 16.02.2015 Friction of water on graphene and hexagonal boron nitride from ab initio methods: very different slippage despite very similar interface structures. 16.02.2015 Structure and energetics of hydrogen-bonded networks of methanol on close packed transition metal surfaces. 16.02.2015 Significant quantum effects in hydrogen activation. 16.02.2015 Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces. 16.02.2015 Solvent-Induced Proton Hopping at a Water-Oxide Interface. 16.02.2015 Communication: Ab initio simulations of hydrogen-bonded ferroelectrics: Collective tunneling and the origin of geometrical isotope effects 16.02.2015 16.02.2015 Quantum Effects in the Diffusion of Hydrogen on Ru(0001). 16.02.2015 Ab initio simulations of wet and dry interfaces 16.02.2015 Adsorption of organic molecules at metal and metal-oxide surfaces: Theoretical challenges, concepts, and insights 16.02.2015 Nature of proton transport in a water-filled carbon nanotube and in liquid water. 07.11.2014 Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding 07.11.2014 Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding 18.07.2014 On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures 22.03.2014 The microscopic features of heterogeneous ice nucleation may affect the macroscopic morphology of atmospheric ice crystals