Publications
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
(2024)
(doi: 10.48550/arxiv.2405.20217)
Electrified/charged aqueous interfaces: general discussion.
Faraday Discussions
(2024)
249
381
(doi: 10.1039/d3fd90065g)
Dynamics and nano-rheology of interfacial water: general discussion
Faraday Discuss
(2024)
249
243
(doi: 10.1039/d3fd90064a)
Machine Learning Nucleation Collective Variables with Graph Neural Networks
J Chem Theory Comput
(2023)
20
1600
(doi: 10.1021/acs.jctc.3c00722)
Clay Edges Are Dynamic Proton-Conducting Networks Modulated by Structure and pH
Journal of Physical Chemistry Letters
(doi: 10.1021/acs.jpclett.5c03748)
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