Publications
A foundation model for atomistic materials chemistry
Journal of Chemical Physics
(2025)
163
184110
(doi: 10.1063/5.0297006)
Spontaneous Surface Charging and Janus Nature of the Hexagonal Boron Nitride-Water Interface
J Am Chem Soc
(2025)
147
30107
(doi: 10.1021/jacs.5c07827)
Nanoconfined superionic water is a molecular superionic
(2025)
Unexpected structural isomers of AlFe2O4 + and AlCo2O4 +: vibrational spectroscopy and ion mobility combined with quantum chemistry.
Chem Sci
(2025)
16
11999
(doi: 10.1039/d5sc02681d)
Protons Accumulate at the Graphene-Water Interface
ACS Nano
(2025)
19
17728
(doi: 10.1021/acsnano.5c02053)
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
Faraday Discuss
(2025)
256
120
(doi: 10.1039/d4fd00107a)
Quasi-one-dimensional hydrogen bonding in nanoconfined ice.
Nat Commun
(2024)
15
7301
(doi: 10.1038/s41467-024-51124-z)
Protons accumulate at the graphene-water interface
(2024)
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
(2024)
(doi: 10.48550/arxiv.2405.20217)
Dynamics and nano-rheology of interfacial water: General discussion
Faraday Discussions
(2024)
249
243
(doi: 10.1039/d3fd90064a)
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