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Angelos Michaelides

Identifiers

  • name variant Angelos Michaelides 0.60 · backfill

Papers (59)

  1. Strain-Dependent Wetting of Graphene cond-mat.mes-hall · 2026 · author #4
  2. A foundation model for atomistic materials chemistry physics.chem-ph · 2023 · author #59
  3. The quantum nature of hydrogen physics.chem-ph · 2018 · author #5
  4. Ice is Born in Low-Mobility Regions of Supercooled Liquid Water physics.chem-ph · 2018 · author #4
  5. On the physisorption of water on graphene: Sub-chemical accuracy from many-body electronic structure methods cond-mat.mtrl-sci · 2018 · author #8
  6. Unravelling the Origins of Ice Nucleation on Organic Crystals cond-mat.soft · 2018 · author #6
  7. Chirality at two-dimensional surfaces: A perspective from small molecule alcohol assembly on Au(111) cond-mat.mtrl-sci · 2018 · author #11
  8. Heterogeneous Seeded Molecular Dynamics as a Tool to Probe the Ice Nucleating Ability of Crystalline Surfaces cond-mat.mtrl-sci · 2018 · author #4
  9. Fast and accurate quantum Monte Carlo for molecular crystals physics.chem-ph · 2018 · author #6
  10. A Machine Learning Potential for Graphene cond-mat.mtrl-sci · 2017 · author #4
  11. Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces physics.comp-ph · 2017 · author #6
  12. What Makes a Good Descriptor for Heterogeneous Ice Nucleation on OH-Patterned Surfaces physics.chem-ph · 2017 · author #3
  13. Hydrogenation Facilitates Proton Transfer Through Two-Dimensional Honeycomb Crystals cond-mat.mtrl-sci · 2017 · author #5
  14. Exploring water adsorption on isoelectronically doped graphene using alchemical derivatives physics.chem-ph · 2017 · author #2
  15. Double-layer ice from first principles cond-mat.mtrl-sci · 2017 · author #5
  16. A comparison between quantum chemistry and quantum Monte Carlo techniques for the adsorption of water on the (001) LiH surface physics.chem-ph · 2017 · author #9
  17. How strongly do hydrogen and water molecules stick to carbon nanomaterials? cond-mat.mtrl-sci · 2017 · author #3
  18. Is High-density Amorphous Ice Simply a 'Derailed' State along the Ice I to Ice IV Pathway? cond-mat.mtrl-sci · 2017 · author #4
  19. The Many Faces of Heterogeneous Ice Nucleation: Interplay Between Surface Morphology and Hydrophobicity physics.chem-ph · 2016 · author #4
  20. Fast diffusion of water nanodroplets on graphene physics.chem-ph · 2016 · author #3
  21. Stability of Complex Biomolecular Structures: Vander Waals, Hydrogen Bond Cooperativity, and Nuclear Quantum Effects physics.chem-ph · 2016 · author #3
  22. Evidence for Stable Square Ice from Quantum Monte Carlo physics.chem-ph · 2016 · author #5
  23. Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations cond-mat.mtrl-sci · 2016 · author #7
  24. Microscopic Mechanism and Kinetics of Ice Formation at Complex Interfaces: Zooming in on Kaolinite cond-mat.mtrl-sci · 2016 · author #5
  25. Inverse Temperature Dependence of Nuclear Quantum Effects in DNA Base Pairs physics.chem-ph · 2016 · author #6
  26. Toward Accurate Adsorption Energetics on Clay Surfaces physics.chem-ph · 2016 · author #7
  27. Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding physics.chem-ph · 2016 · author #4
  28. Ice Formation on Kaolinite: Insights from Molecular Dynamics Simulations physics.chem-ph · 2016 · author #5
  29. Boosting the accuracy and speed of quantum Monte Carlo: size-consistency and time-step physics.chem-ph · 2016 · author #4
  30. The Interplay of Covalency, Hydrogen Bonding and Dispersion Leads to a Long Range Chiral Network: The Example of 2-Butanol cond-mat.mtrl-sci · 2016 · author #8
  31. Tuning dissociation using isoelectronically doped graphene and hexagonal boron nitride: water and other small molecules cond-mat.mtrl-sci · 2016 · author #4
  32. 2D ice from first principles: structures and phase transitions cond-mat.mtrl-sci · 2015 · author #5
  33. Understanding corrosion inhibition with van der Waals DFT methods: the case of benzotriazole cond-mat.mtrl-sci · 2015 · author #2
  34. Atomistic details of oxide surfaces and surface oxidation: the example of copper and its oxides cond-mat.mtrl-sci · 2015 · author #2
  35. Water on hexagonal boron nitride from diffusion Monte Carlo cond-mat.mtrl-sci · 2015 · author #5
  36. Friction of Water on Graphene and Hexagonal Boron Nitride from ab initio Methods: Very Different Slippage Despite Very Similar Interface Structures cond-mat.mes-hall · 2015 · author #3
  37. Molecular simulations of heterogeneous ice nucleation. II. Peeling back the layers cond-mat.mtrl-sci · 2015 · author #4
  38. Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity cond-mat.mtrl-sci · 2015 · author #4
  39. Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces cond-mat.mtrl-sci · 2014 · author #3
  40. Nature of proton transport in a water-filled carbon nanotube and in liquid water cond-mat.mtrl-sci · 2014 · author #4
  41. Quantum effects in the diffusion of hydrogen on Ru(0001) physics.chem-ph · 2014 · author #4
  42. The Microscopic Features of Heterogeneous Ice Nucleation May Affect the Macroscopic Morphology of Atmospheric Ice Crystals cond-mat.stat-mech · 2014 · author #5
  43. Solvent Induced Proton Hopping at a Water-Oxide Interface cond-mat.mtrl-sci · 2014 · author #2
  44. Benchmarking the performance of Density Functional Theory and Point Charge Force Fields in their Description of sI Methane Hydrate against Diffusion Monte Carlo cond-mat.mtrl-sci · 2014 · author #4
  45. Understanding the role of ions and water molecules in the NaCl dissolution process physics.chem-ph · 2013 · author #3
  46. On the Accuracy of van der Waals Inclusive Density-Functional Theory Exchange-Correlation Functionals for Ice at Ambient and High Pressures cond-mat.mtrl-sci · 2013 · author #6
  47. Classical and quantum ordering of protons in cold solid hydrogen under megabar pressures cond-mat.mtrl-sci · 2013 · author #6
  48. A molecular perspective of water at metal interfaces cond-mat.mtrl-sci · 2013 · author #3
  49. Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory cond-mat.mtrl-sci · 2013 · author #2
  50. The role of van der Waals forces in water adsorption on metals cond-mat.mtrl-sci · 2013 · author #3
  51. Quantum simulation of low-temperature metallic liquid hydrogen cond-mat.mtrl-sci · 2012 · author #7
  52. Benzene Adsorbed on Metals: Concerted Effect of Covalency and van der Waals Bonding cond-mat.mtrl-sci · 2012 · author #4
  53. Hydrogen bonds and van der Waals forces in ice at ambient and high pressures cond-mat.mtrl-sci · 2011 · author #6
  54. Van der Waals density functionals applied to solids cond-mat.mtrl-sci · 2011 · author #3
  55. To wet or not to wet? Dispersion forces tip the balance for water-ice on metals cond-mat.mtrl-sci · 2010 · author #4
  56. Coupled cluster benchmarks of water monomers and dimers extracted from DFT liquid water: the importance of monomer deformations cond-mat.mtrl-sci · 2009 · author #2
  57. Experimental and theoretical study of oxygen adsorption structures on Ag(111) cond-mat.mtrl-sci · 2009 · author #4
  58. On the accuracy of DFT exchange-correlation functionals for H bonds in small water clusters II: The water hexamer and van der Waals interactions cond-mat.mtrl-sci · 2008 · author #2
  59. On how good DFT exchange-correlation functionals are for H bonds in small water clusters: Benchmarks approaching the complete basis set limit cond-mat.mtrl-sci · 2007 · author #2

Mentions

  • 1209.4345 #4 · backfill · confidence 0.70 Angelos Michaelides
  • 1108.0304 #6 · backfill · confidence 0.70 Angelos Michaelides
  • 1102.1358 #3 · backfill · confidence 0.70 Angelos Michaelides
  • 1012.2838 #4 · backfill · confidence 0.70 Angelos Michaelides
  • 2401.00096 #59 · arxiv_oai · confidence 0.70 Angelos Michaelides
  • 0907.3469 #2 · backfill · confidence 0.70 Angelos Michaelides
  • 0904.3734 #4 · backfill · confidence 0.70 Angelos Michaelides
  • 0808.3154 #2 · backfill · confidence 0.70 Angelos Michaelides
  • 0707.2540 #2 · backfill · confidence 0.70 Angelos Michaelides

Frequent Coauthors