Skip to main content
European Commission logo print header

Deep multi-scale modelling of electrified metal oxide nanostructures


Machine learning inference of molecular dipole moment in liquid water

Author(s): Lisanne Knijff, Chao Zhang
Published in: Machine Learning: Science and Technology, Issue 2/3, 2021, Page(s) 03LT03, ISSN 2632-2153
Publisher: IOP
DOI: 10.1088/2632-2153/ac0123

Origin of Asymmetric Electric Double Layers at Electrified Oxide/Electrolyte Interfaces

Author(s): Mei Jia, Chao Zhang, Jun Cheng
Published in: The Journal of Physical Chemistry Letters, Issue 12/19, 2021, Page(s) 4616-4622, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.1c00775

Finite-field coupling via learning the charge response kernel

Author(s): Yunqi Shao, Linnéa Andersson, Lisanne Knijff, Chao Zhang
Published in: Electronic Structure, Issue 4, 2022, Page(s) 014012, ISSN 2516-1075
Publisher: IOP
DOI: 10.1088/2516-1075/ac59ca

PiNNwall: Heterogeneous Electrode Models from Integrating Machine Learning and Atomistic Simulation

Author(s): Thomas Dufils, Lisanne Knijff, Yunqi Shao, and Chao Zhang
Published in: Journal of Chemical Theory and Computation, Issue 19/15, 2023, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.3c00359

Searching for OpenAIRE data...

There was an error trying to search data from OpenAIRE

No results available