2026 Angelos Michaelides: Materials Science Researcher – H-Index, Publications & Awards

Discipline name	D-Index	World Ranking	Current World Ranking	National Ranking	Current National Ranking	Publications	Citations
Materials Science	89	1749	1683	74	69	327	36129
Chemistry	88	2242	2015	115	101	286	36897

Research.com Recognitions

2022 - Research.com Materials Science in United Kingdom Leader Award
2016 - Member of the European Academy of Sciences
2016 - Fellow of American Physical Society (APS) Citation For fundamental contributions to computational simulations of solids and surfaces, particularly adsorption problems, most notably watersolid interfaces

Overview

Angelos Michaelides is affiliated with the University of Cambridge in the United Kingdom. Their research primarily focuses on materials science, with a notable emphasis on materials chemistry among other related subfields.

The scientist has published extensively, contributing to various main and subfields of study such as:

Materials Science
Materials Chemistry
Atomic and Molecular Physics, and Optics
Biomedical Engineering
Physical and Theoretical Chemistry
Atmospheric Science

Michaelides's work covers several topics repeatedly explored throughout their career, including:

Machine Learning in Materials Science
Spectroscopy and Quantum Chemical Studies
Nanopore and Nanochannel Transport Studies
Graphene Research and Applications
Catalytic Processes in Materials Science
Advanced Chemical Physics Studies
Nanoparticles Nucleation Surface Interactions

Among their recent papers are:

First-principles design of a single-atom-alloy propane dehydrogenation catalyst, 2021, Science
An accurate and transferable machine learning potential for carbon, 2020, Oxford University Research Archive (ORA) (University of Oxford)
The first-principles phase diagram of monolayer nanoconfined water, 2022, Nature
A foundation model for atomistic materials chemistry, 2023, arXiv (Cornell University)
Machine learning potentials for complex aqueous systems made simple, 2021, Spiral (Imperial College London)

Frequent collaborators include Christoph Schran, Andrea Zen, Venkat Kapil, Flaviano Della Pia, and Fabian L. Thiemann.

The scientist frequently publishes in venues such as:

arXiv (Cornell University)
The Journal of Chemical Physics
Journal of the American Chemical Society
Faraday Discussions
Nano Letters

Angelos Michaelides has been recognized with the following awards:

Member of the European Academy of Sciences (2016)
Fellow of the American Physical Society (APS) (2016) - Citation for fundamental contributions to computational simulations of solids and surfaces, particularly adsorption problems, most notably watersolid interfaces

Best Publications

Van der Waals density functionals applied to solids

Jiří Klimeš;David R. Bowler;Angelos Michaelides

4491
Citations
Chemical accuracy for the van der Waals density functional

Jiri Klimes;David Bowler;Angelos Michaelides

3588
Citations
Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory.

Jiří Klimeš;Angelos Michaelides

1210
Citations
Promoting transparency and reproducibility in enhanced molecular simulations

M. Bonomi;M. Bonomi;B. Giovanni;C. Camilloni;G.A. Tribello

1200
Citations
Water at Interfaces

Olle Björneholm;Martin Hangaard Hansen;Martin Hangaard Hansen;Andrew Hodgson;Li-Min Liu

793
Citations
Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges

Michele Ceriotti;Wei Fang;Peter G. Kusalik;Ross H. McKenzie

690
Citations
Identification of general linear relationships between activation energies and enthalpy changes for dissociation reactions at surfaces.

Angelos Michaelides;Z.-P. Liu;C. J. Zhang;Ali Alavi

675
Citations
Stone-Wales defects in graphene and other planar sp(2)-bonded materials

Jie Ma;Jie Ma;Jie Ma;Dario Alfè;Dario Alfè;Angelos Michaelides;Angelos Michaelides;Enge Wang

657
Citations
Pt/Cu single-atom alloys as coke-resistant catalysts for efficient C-H activation.

Matthew D. Marcinkowski;Matthew T. Darby;Jilei Liu;Joshua M. Wimble

613
Citations
A molecular perspective of water at metal interfaces

Javier Carrasco;Andrew Hodgson;Angelos Michaelides

591
Citations
Friction of water on graphene and hexagonal boron nitride from ab initio methods: very different slippage despite very similar interface structures.

Gabriele Tocci;Laurent Joly;Angelos Michaelides

570
Citations
Perspective: How good is DFT for water?

Michael J. Gillan;Dario Alfè;Angelos Michaelides;Angelos Michaelides

536
Citations
Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations.

Gabriele C. Sosso;Ji Chen;Stephen J. Cox;Martin Fitzner

529
Citations
Quantum nature of the hydrogen bond

Xin-Zheng Li;Brent Walker;Angelos Michaelides

485
Citations
General Model for Water Monomer Adsorption on Close-Packed Transition and Noble Metal Surfaces

A. Michaelides;V. A. Ranea;V. A. Ranea;P. L. de Andres;D. A. King

475
Citations
An accurate and transferable machine learning potential for carbon.

Patrick Rowe;Volker L Deringer;Piero Gasparotto;Gábor Csányi

459
Citations
Ice nanoclusters at hydrophobic metal surfaces.

Angelos Michaelides;Karina Morgenstern

448
Citations
Catalytic water formation on platinum: a first-principles study.

A Michaelides;P Hu

410
Citations
Active sites in heterogeneous ice nucleation—the example of K-rich feldspars

Alexei Kiselev;Felix Bachmann;Philipp Pedevilla;Stephen J. Cox

390
Citations
Atomistic details of oxide surfaces and surface oxidation: the example of copper and its oxides

Chiara Gattinoni;Angelos Michaelides

361
Citations
Benzene adsorbed on metals: Concerted effect of covalency and van der Waals bonding

Wei Liu;Javier Carrasco;Biswajit Santra;Biswajit Santra;Angelos Michaelides

321
Citations
On the accuracy of DFT exchange-correlation functionals for H bonds in small water clusters II: The water hexamer and van der Waals interactions

Biswajit Santra;Angelos Michaelides;Martin Fuchs;Alexandre Tkatchenko

305
Citations