Publications
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 Discuss
(2024)
249
243
(doi: 10.1039/d3fd90064a)
Electrified/charged aqueous interfaces: general discussion
Faraday Discuss
(2024)
249
381
(doi: 10.1039/d3fd90065g)
Quasi-one-dimensional hydrogen bonding in nanoconfined ice
(2023)
Machine Learning Nucleation Collective Variables with Graph Neural Networks
Journal of Chemical Theory and Computation
(2023)
20
1600
(doi: 10.1021/acs.jctc.3c00722)
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