Angelos Michaelides

15PUBLICATIONS
39CO-AUTHORS
Transition metal chemistryTheoretical quantum chemistryColloid and surface chemistryMolecular imaging (incl. electron microscopy and neutron diffraction)Supramolecular chemistry
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Publications (15)

|Dec 02, 2020
The color center singlet state of oxygen vacancies in TiO2.

Ji Chen, Nikolay A Bogdanov, Denis Usvyat

|Jul 28, 2020
An accurate and transferable machine learning potential for carbon.

Patrick Rowe, Volker L Deringer, Piero Gasparotto

|Nov 03, 2019
Interaction between water and carbon nanostructures: How good are current density functional approximations?

Jan Gerit Brandenburg, Andrea Zen, Dario Alfè

|Oct 10, 2019
A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias.

Andrea Zen, Jan Gerit Brandenburg, Angelos Michaelides

|Aug 24, 2018
Heterogeneous seeded molecular dynamics as a tool to probe the ice nucleating ability of crystalline surfaces.

Philipp Pedevilla, Martin Fitzner, Gabriele C Sosso

|Jul 25, 2018
Chirality at two-dimensional surfaces: A perspective from small molecule alcohol assembly on Au(111).

Melissa L Liriano, Amanda M Larson, Chiara Gattinoni

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Frequent Collaborators

4 joint publications

Todd J Martínez

4 joint publications

Dario Alfè

4 joint publications

David E Manolopoulos

4 joint publications

Andrea Zen