Angelos Michaelides (A Michaelides)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 82

Top Topics

Carbon Nanotubes

Room Temperature

Molecular Dynamics

Top Venues

The Journal of chemical physics

The journal of physical chemistry letters

This page only lists publications with an associated author ORCID identifier.

Publications

Niamh O'Neill, Benjamin X Shi, Kara D Fong, Angelos Michaelides, Christoph Schran
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water. The journal of physical chemistry letters (2024)
Kara D Fong, Barbara Sumić, Niamh O'Neill, Christoph Schran, Clare P Grey, Angelos Michaelides
The Interplay of Solvation and Polarization Effects on Ion Pairing in Nanoconfined Electrolytes. Nano letters (2024)
Benjamin X Shi, David J Wales, Angelos Michaelides, Chang Woo Myung
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters. Journal of chemical theory and computation (2024)
Jincheng Tong, Y Fu, Daniil Domaretskiy, F Della Pia, P Dagar, L Powell, Daniel Bahamon, Shiqi Huang, B Xin, R N Costa Filho, Lourdes F Vega, Irina V Grigorieva, François M Peeters, Angelos Michaelides, Marcelo Lozada-Hidalgo
Control of proton transport and hydrogenation in double-gated graphene. Nature 630 (8017) (2024)
Jincheng Tong, Y Fu, Daniil Domaretskiy, F Della Pia, P Dagar, L Powell, Daniel Bahamon, Shiqi Huang, B Xin, R N Costa Filho, Lourdes F Vega, Irina V Grigorieva, François M Peeters, Angelos Michaelides, Marcelo Lozada-Hidalgo
Control of proton transport and hydrogenation in double-gated graphene. Nature 630 (8017) (2024)
Julia Schumann, Michail Stamatakis, Angelos Michaelides, Romain Réocreux
Ten-electron count rule for the binding of adsorbates on single-atom alloy catalysts. Nature chemistry 16 (5) (2024)
Benjamin X Shi, David J Wales, Angelos Michaelides, Chang Woo Myung
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters. Journal of chemical theory and computation 20 (12) (2024)
Julia Schumann, Michail Stamatakis, Angelos Michaelides, Romain Réocreux
Ten-electron count rule for the binding of adsorbates on single-atom alloy catalysts. Nature chemistry (2024)
Pavan Ravindra, Xavier R Advincula, Christoph Schran, Angelos Michaelides, Venkat Kapil
Quasi-one-dimensional hydrogen bonding in nanoconfined ice. Nature communications 15 (1) (2024)
Julia Schumann, Michail Stamatakis, Angelos Michaelides, Romain Réocreux
Ten-electron count rule for the binding of adsorbates on single-atom alloy catalysts. Nature chemistry 16 (5) (2024)
Xavier R Advincula, Katarina E Blow, Mischa Bonn, Anna T Bui, Yafang Cheng, Stephen James Cox, Flaviano Della Pia, Ulrike Diebold, Laura Fumagalli, Gaurav Goel, John A Hayton, Ying Jiang, Venkat Kapil, Nikita Kavokine, Kenichiro Koga, Damien Laage, Meir Lahav, Shurui Miao, Angelos Michaelides, Pablo Montero de Hijes, Karina Morgenstern, Taritra Mukherjee, Niamh O'Neill, Ding Pan, Pablo M Piaggi, Susan L B Rempe, Matteo Salvalaglio, Christoph G Salzmann, Thomas Sayer, Margarita Shepelenko, Gabriele C Sosso, Shaoheng Wang, Beau Webber, Adam P Willard, Yang Yao
Dynamics and nano-rheology of interfacial water: general discussion. Faraday discussions (2024)
Jincheng Tong, Y Fu, Daniil Domaretskiy, F Della Pia, P Dagar, L Powell, Daniel Bahamon, Shiqi Huang, B Xin, R N Costa Filho, Lourdes F Vega, Irina V Grigorieva, François M Peeters, Angelos Michaelides, Marcelo Lozada-Hidalgo
Control of proton transport and hydrogenation in double-gated graphene. Nature 630 (8017) (2024)
Kara D Fong, Barbara Sumić, Niamh O'Neill, Christoph Schran, Clare P Grey, Angelos Michaelides
The Interplay of Solvation and Polarization Effects on Ion Pairing in Nanoconfined Electrolytes. Nano letters (2024)
Pavan Ravindra, Xavier R Advincula, Christoph Schran, Angelos Michaelides, Venkat Kapil
Quasi-one-dimensional hydrogen bonding in nanoconfined ice. Nature communications 15 (1) (2024)
Xavier R Advincula, Katarina E Blow, Mischa Bonn, Anna T Bui, Yafang Cheng, Stephen James Cox, Flaviano Della Pia, Ulrike Diebold, Laura Fumagalli, Gaurav Goel, John A Hayton, Ying Jiang, Venkat Kapil, Nikita Kavokine, Kenichiro Koga, Damien Laage, Meir Lahav, Shurui Miao, Angelos Michaelides, Pablo Montero de Hijes, Karina Morgenstern, Taritra Mukherjee, Niamh O'Neill, Ding Pan, Pablo M Piaggi, Susan L B Rempe, Matteo Salvalaglio, Christoph G Salzmann, Thomas Sayer, Margarita Shepelenko, Gabriele C Sosso, Shaoheng Wang, Beau Webber, Adam P Willard, Yang Yao
Dynamics and nano-rheology of interfacial water: general discussion. Faraday discussions 249 (0) (2024)
Kara D Fong, Barbara Sumić, Niamh O'Neill, Christoph Schran, Clare P Grey, Angelos Michaelides
The Interplay of Solvation and Polarization Effects on Ion Pairing in Nanoconfined Electrolytes. Nano letters (2024)
Julia Schumann, Michail Stamatakis, Angelos Michaelides, Romain Réocreux
Ten-electron count rule for the binding of adsorbates on single-atom alloy catalysts. Nature chemistry (2024)
Jincheng Tong, Y Fu, Daniil Domaretskiy, F Della Pia, P Dagar, L Powell, Daniel Bahamon, Shiqi Huang, B Xin, R N Costa Filho, Lourdes F Vega, Irina V Grigorieva, François M Peeters, Angelos Michaelides, Marcelo Lozada-Hidalgo
Control of proton transport and hydrogenation in double-gated graphene. Nature 630 (8017) (2024)
Julia Schumann, Michail Stamatakis, Angelos Michaelides, Romain Réocreux
Ten-electron count rule for the binding of adsorbates on single-atom alloy catalysts. Nature chemistry 16 (5) (2024)
Niamh O'Neill, Benjamin X Shi, Kara D Fong, Angelos Michaelides, Christoph Schran
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water. The journal of physical chemistry letters 15 (23) (2024)
Niamh O'Neill, Benjamin X Shi, Kara D Fong, Angelos Michaelides, Christoph Schran
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water. The journal of physical chemistry letters 15 (23) (2024)
Julia Schumann, Michail Stamatakis, Angelos Michaelides, Romain Réocreux
Ten-electron count rule for the binding of adsorbates on single-atom alloy catalysts. Nature chemistry (2024)
Niamh O'Neill, Benjamin X Shi, Kara D Fong, Angelos Michaelides, Christoph Schran
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water. The journal of physical chemistry letters 15 (23) (2024)
John A Hayton, Michael Benedict Davies, Thomas F Whale, Angelos Michaelides, Stephen James Cox
The limit of macroscopic homogeneous ice nucleation at the nanoscale. Faraday discussions (2023)
C Richard A Catlow, Nora H De Leeuw, Angelos Michaelides, Scott M Woodley
Supercomputing modelling of advanced materials: preface. Philosophical transactions. Series A, Mathematical, physical, and engineering sciences 381 (2250) (2023)
Anna T Bui, Fabian L Thiemann, Angelos Michaelides, Stephen James Cox
Classical Quantum Friction at Water-Carbon Interfaces. Nano letters 23 (2) (2023)
Tran Thi Bao Le, Aaron R Finney, Andrea Zen, Tai Bui, Weparn J Tay, Kuhan Chellappah, Matteo Salvalaglio, Angelos Michaelides, Alberto Striolo
Mesoscale Simulations Reveal How Salt Influences Clay Particles Agglomeration in Aqueous Dispersions. Journal of chemical theory and computation (2023)
Anna T Bui, Fabian L Thiemann, Angelos Michaelides, Stephen James Cox
Classical Quantum Friction at Water-Carbon Interfaces. Nano letters (2023)
Cord Bertram, Christopher Zaum, Wei Fang, Angelos Michaelides, Karina Morgenstern
Considerably Increased Dynamics of CO-Water Complexes over CO and Water Alone. Nano letters (2023)
C Y Hu, A Achari, P Rowe, H Xiao, S Suran, Z Li, K Huang, C Chi, C T Cherian, V Sreepal, P D Bentley, A Pratt, Ning Zhang, K S Novoselov, Angelos Michaelides, Rahul R Nair
pH-dependent water permeability switching and its memory in MoS 2 membranes. Nature (2023)
Alexander Rosu-Finsen, Michael Benedict Davies, Alfred Amon, Han Wu, Andrea Sella, Angelos Michaelides, Christoph G Salzmann
Medium-density amorphous ice. Science (New York, N.Y.) 379 (6631) (2023)
Anna T Bui, Fabian L Thiemann, Angelos Michaelides, Stephen James Cox
Classical Quantum Friction at Water-Carbon Interfaces. Nano letters 23 (2) (2023)
T Dufils, Christoph Schran, Ji Chen, Andre K Geim, Laura Fumagalli, Angelos Michaelides
Origin of dielectric polarization suppression in confined water from first principles. Chemical science 15 (2) (2023)
Benjamin X Shi, Andrea Zen, Venkat Kapil, Péter R Nagy, Andreas Grüneis, Angelos Michaelides
Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments. Journal of the American Chemical Society (2023)
Anna T Bui, Fabian L Thiemann, Angelos Michaelides, Stephen James Cox
Classical Quantum Friction at Water-Carbon Interfaces. Nano letters 23 (2) (2023)
T Dufils, Christoph Schran, Ji Chen, Andre K Geim, Laura Fumagalli, Angelos Michaelides
Origin of dielectric polarization suppression in confined water from first principles. Chemical science 15 (2) (2023)
Anna T Bui, Fabian L Thiemann, Angelos Michaelides, Stephen James Cox
Classical Quantum Friction at Water-Carbon Interfaces. Nano letters 23 (2) (2023)
Yicheng Wang, Julia Schumann, Elizabeth E Happel, Volkan Çınar, E Charles H Sykes, Michail Stamatakis, Angelos Michaelides, Ryan T Hannagan
Observation and Characterization of Dicarbonyls on a RhCu Single-Atom Alloy. The journal of physical chemistry letters 13 (27) (2022)
Fabian L Thiemann, Christoph Schran, Patrick Rowe, Erich A Müller, Angelos Michaelides
Water Flow in Single-Wall Nanotubes: Oxygen Makes It Slip, Hydrogen Makes It Stick. ACS nano 16 (7) (2022)
Michele Ceriotti, Lasse Jensen, David E Manolopoulos, Todd J Martinez, Angelos Michaelides, Jennifer P Ogilvie, David R Reichman, Qiang Shi, John E Straub, Carlos Vega, Lai-Sheng Wang, Emily Allyn Weiss, Xiaoyang Zhu, Jennifer L Stein, Tianquan Lian
2020 JCP Emerging Investigator Special Collection. The Journal of chemical physics 155 (23) (2022)
Andrea Zen, Tai Bui, Tran Thi Bao Le, Weparn J Tay, Kuhan Chellappah, Ian R Collins, Richard D Rickman, Alberto Striolo, Angelos Michaelides
Long-Range Ionic and Short-Range Hydration Effects Govern Strongly Anisotropic Clay Nanoparticle Interactions. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (18) (2022)
Nicholas Clark, Daniel J Kelly, Mingwei Zhou, Yi-Chao Zou, Chang Woo Myung, David G Hopkinson, Christoph Schran, Angelos Michaelides, Roman V Gorbachev, Sarah J Haigh
Tracking single adatoms in liquid in a transmission electron microscope. Nature 609 (7929) (2022)
Romain Réocreux, E Charles H Sykes, Angelos Michaelides, Michail Stamatakis
Stick or Spill? Scaling Relationships for the Binding Energies of Adsorbates on Single-Atom Alloy Catalysts. The journal of physical chemistry letters 13 (31) (2022)
Gabriele Cesare Sosso, Prerna Sudera, Anna T Kunert, Thomas F Whale, Janine Fröhlich-Nowoisky, Mischa Bonn, Angelos Michaelides, Ellen H G Backus
The role of structural order in heterogeneous ice nucleation. Chemical science 13 (17) (2022)
Venkat Kapil, Christoph Schran, Andrea Zen, Ji Chen, Chris J Pickard, Angelos Michaelides
The first-principles phase diagram of monolayer nanoconfined water. Nature 609 (7927) (2022)
Grisell Díaz Leines, Angelos Michaelides, Jutta Rogal
Interplay of structural and dynamical heterogeneity in the nucleation mechanism in nickel. Faraday discussions 235 (0) (2022)
Michael Benedict Davies, Martin Fitzner, Angelos Michaelides
Accurate prediction of ice nucleation from room temperature water. Proceedings of the National Academy of Sciences of the United States of America 119 (31) (2022)
Michael Benedict Davies, Martin Fitzner, Angelos Michaelides
Routes to cubic ice through heterogeneous nucleation. Proceedings of the National Academy of Sciences of the United States of America 118 (13) (2021)
Tai Bui, Harry Frampton, Shanshan Huang, Ian R Collins, Alberto Striolo, Angelos Michaelides
Water/oil interfacial tension reduction - an interfacial entropy driven process. Physical chemistry chemical physics : PCCP 23 (44) (2021)
Christoph Schran, Fabian L Thiemann, Patrick Rowe, Erich A Müller, Ondrej Marsalek, Angelos Michaelides
Machine learning potentials for complex aqueous systems made simple. Proceedings of the National Academy of Sciences of the United States of America 118 (38) (2021)
Fabian L Thiemann, Patrick Rowe, Andrea Zen, Erich A Müller, Angelos Michaelides
Defect-Dependent Corrugation in Graphene. Nano letters 21 (19) (2021)
C David Sherrill, David E Manolopoulos, Todd J Martinez, Michele Ceriotti, Angelos Michaelides
Chemical physics software. The Journal of chemical physics 155 (1) (2021)
Mark D Ediger, Lasse Jensen, David E Manolopoulos, Todd J Martinez, Angelos Michaelides, David R Reichman, C David Sherrill, Qiang Shi, John E Straub, Carlos Vega, Lai-Sheng Wang, Erinn C Brigham, Tianquan Lian
JCP Emerging Investigator Special Collection 2019. The Journal of chemical physics 153 (11) (2021)
Wei Fang, Kastur M Meyer Auf der Heide, Christopher Zaum, Angelos Michaelides, Karina Morgenstern
Rapid Water Diffusion at Cryogenic Temperatures through an Inchworm-like Mechanism. Nano letters 22 (1) (2021)
Julia Schumann, Yutian Bao, Ryan T Hannagan, E Charles H Sykes, Michail Stamatakis, Angelos Michaelides
Periodic Trends in Adsorption Energies around Single-Atom Alloy Active Sites. The journal of physical chemistry letters 12 (41) (2021)
Wei Fang, Ji Chen, Philipp Pedevilla, Xin-Zheng Li, Jeremy O Richardson, Angelos Michaelides
Origins of fast diffusion of water dimers on surfaces. Nature communications 11 (1) (2020)
Martin Fitzner, Philipp Pedevilla, Angelos Michaelides
Predicting heterogeneous ice nucleation with a data-driven approach. Nature communications 11 (1) (2020)
C David Sherrill, David E Manolopoulos, Todd J Martinez, Angelos Michaelides
Electronic structure software. The Journal of chemical physics 153 (7) (2020)
K Huang, P Rowe, C Chi, V Sreepal, T Bohn, K-G Zhou, Y Su, E Prestat, P Balakrishna Pillai, C T Cherian, Angelos Michaelides, Rahul R Nair
Cation-controlled wetting properties of vermiculite membranes and its promise for fouling resistant oil-water separation. Nature communications 11 (1) (2020)
Chiara Gattinoni, Panayiotis Tsaousis, Chanan Euaruksakul, Rachel Price, David A Duncan, Tod Pascal, David Prendergast, Georg Held, Angelos Michaelides
Adsorption Behavior of Organic Molecules: A Study of Benzotriazole on Cu(111) with Spectroscopic and Theoretical Methods. Langmuir : the ACS journal of surfaces and colloids 35 (4) (2019)
Jan Gerit Brandenburg, Andrea Zen, Dario Alfè, Angelos Michaelides
Interaction between water and carbon nanostructures: How good are current density functional approximations? The Journal of chemical physics 151 (16) (2019)
Andrea Zen, Jan Gerit Brandenburg, Angelos Michaelides, Dario Alfè
A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias. The Journal of chemical physics 151 (13) (2019)
Cord Bertram, Wei Fang, Phillipp Pedevilla, Angelos Michaelides, Karina Morgenstern
Anomalously Low Barrier for Water Dimer Diffusion on Cu(111). Nano letters 19 (5) (2019)
Martin Hart, Ji Chen, Angelos Michaelides, Andrea Sella, Milo Sebastian Peter Shaffer, Christoph G Salzmann
One-Dimensional Pnictogen Allotropes inside Single-Wall Carbon Nanotubes. Inorganic chemistry 58 (22) (2019)
Nikki Gerrard, Chiara Gattinoni, Fiona McBride, Angelos Michaelides, Andrew Hodgson
Strain Relief during Ice Growth on a Hexagonal Template. Journal of the American Chemical Society 141 (21) (2019)
Jan Gerit Brandenburg, Andrea Zen, Martin Fitzner, Benjamin Ramberger, Georg Kresse, Theodoros Tsatsoulis, Andreas Grüneis, Angelos Michaelides, Dario Alfè
Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods. The journal of physical chemistry letters 10 (3) (2019)
Martin Fitzner, Gabriele Cesare Sosso, Stephen James Cox, Angelos Michaelides
Ice is born in low-mobility regions of supercooled liquid water. Proceedings of the National Academy of Sciences of the United States of America 116 (6) (2019)
Chi-Ming Yim, Ji Chen, Yu Zhang, Bobbie-Jean Shaw, Chi L Pang, David C Grinter, Hendrik Bluhm, Miquel B Salmeron, Christopher A Muryn, Angelos Michaelides, Geoff Thornton
Visualization of Water-Induced Surface Segregation of Polarons on Rutile TiO2(110). The journal of physical chemistry letters 9 (17) (2018)
Yasmine S Al-Hamdani, Mariana Rossi, Dario Alfè, Theodoros Tsatsoulis, Benjamin Ramberger, Jan Gerit Brandenburg, Andrea Zen, Georg Kresse, Andreas Grüneis, Alexandre Tkatchenko, Angelos Michaelides
Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy. The Journal of chemical physics 147 (4) (2018)
Martin Hart, Ji Chen, Angelos Michaelides, Andrea Sella, Milo Sebastian Peter Shaffer, Christoph G Salzmann
One-Dimensional Arsenic Allotropes: Polymerization of Yellow Arsenic Inside Single-Wall Carbon Nanotubes. Angewandte Chemie (International ed. in English) 57 (36) (2018)
Matthew T Darby, Michail Stamatakis, Angelos Michaelides, E Charles H Sykes
Lonely Atoms with Special Gifts: Breaking Linear Scaling Relationships in Heterogeneous Catalysis with Single-Atom Alloys. The journal of physical chemistry letters 9 (18) (2018)
Theodoros Tsatsoulis, Felix Hummel, Denis Usvyat, Martin Schütz, George H Booth, Simon S Binnie, Michael J Gillan, Dario Alfè, Angelos Michaelides, Andreas Grüneis
A comparison between quantum chemistry and quantum Monte Carlo techniques for the adsorption of water on the (001) LiH surface. The Journal of chemical physics 146 (20) (2018)
Matthew T Darby, E Charles H Sykes, Angelos Michaelides, Michail Stamatakis
Carbon Monoxide Poisoning Resistance and Structural Stability of Single Atom Alloys. Topics in catalysis 61 (5) (2018)
Stephen James Cox, Diana J F Taylor, Tristan G A Youngs, Alan K Soper, Tim S Totton, Richard G Chapman, Mosayyeb Arjmandi, Michael G Hodges, Neal T Skipper, Angelos Michaelides
Formation of Methane Hydrate in the Presence of Natural and Synthetic Nanoparticles. Journal of the American Chemical Society 140 (9) (2018)
Philipp Pedevilla, Martin Fitzner, Gabriele Cesare Sosso, Angelos Michaelides
Heterogeneous seeded molecular dynamics as a tool to probe the ice nucleating ability of crystalline surfaces. The Journal of chemical physics 149 (7) (2018)
Martin Fitzner, Laurent Joly, Ming Ma, Gabriele Cesare Sosso, Andrea Zen, Angelos Michaelides
Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces. The Journal of chemical physics 147 (12) (2018)
Yasmine S Al-Hamdani, Angelos Michaelides, O Anatole von Lilienfeld
Exploring dissociative water adsorption on isoelectronically BN doped graphene using alchemical derivatives. The Journal of chemical physics 147 (16) (2018)
Melissa L Liriano, Amanda M Larson, Chiara Gattinoni, Javier Carrasco, Ashleigh E Baber, Emily A Lewis, Colin J Murphy, Timothy J Lawton, Matthew D Marcinkowski, Andrew J Therrien, Angelos Michaelides, E Charles H Sykes
Chirality at two-dimensional surfaces: A perspective from small molecule alcohol assembly on Au(111). The Journal of chemical physics 149 (3) (2018)
Gabriele Cesare Sosso, Thomas F Whale, Mark A Holden, Philipp Pedevilla, Benjamin J Murray, Angelos Michaelides
Unravelling the origins of ice nucleation on organic crystals. Chemical science 9 (42) (2018)
Bess Vlaisavljevich, Johanna Huck, Zeric Hulvey, Kyuho Lee, Jarad A Mason, Jeffrey B Neaton, Jeffrey R Long, Craig M Brown, Dario Alfè, Angelos Michaelides, Berend Smit
Performance of van der Waals Corrected Functionals for Guest Adsorption in the M2(dobdc) Metal-Organic Frameworks. The journal of physical chemistry. A 121 (21) (2017)
Melissa L Liriano, Chiara Gattinoni, Emily A Lewis, Colin J Murphy, E Charles H Sykes, Angelos Michaelides
Water-Ice Analogues of Polycyclic Aromatic Hydrocarbons: Water Nanoclusters on Cu(111). Journal of the American Chemical Society 139 (18) (2017)
Yexin Feng, Ji Chen, Wei Fang, En-Ge Wang, Angelos Michaelides, Xin-Zheng Li
Hydrogenation Facilitates Proton Transfer through Two-Dimensional Honeycomb Crystals. The journal of physical chemistry letters 8 (24) (2017)