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- Currently displaying 1 - 20 of 267 publications
Importance of Ion Size on the Dominance of Water-Ion Versus Water-Water Interactions in Au-Supported Solvatomers.
– Nano Letters
(2025)
(doi: 10.1021/acs.nanolett.4c05184)
Cooperative CO2 capture via oxalate formation on metal-decorated graphene
– Physical Review Materials
(2025)
9,
015401
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies.
– Faraday discussions
(2025)
256,
120
(doi: 10.1039/d4fd00107a)
Momentum tunnelling between nanoscale liquid flows.
– Nature Nanotechnology
(2025)
1
(doi: 10.1038/s41565-024-01842-8)
On the increase of the melting temperature of water confined in one-dimensional nano-cavities.
– J Chem Phys
(2024)
161,
224706
(doi: 10.1063/5.0239452)
Introduction to machine learning potentials for atomistic simulations.
– Journal of physics. Condensed matter : an Institute of Physics journal
(2024)
37,
073002
(doi: 10.1088/1361-648x/ad9657)
Ultracompact Electrical Double Layers at TiO2(110) Electrified Interfaces
– Journal of the American Chemical Society
(2024)
146,
33443
(doi: 10.1021/jacs.4c09911)
Crumbling crystals: on the dissolution mechanism of NaCl in water.
– Physical chemistry chemical physics : PCCP
(2024)
26,
26933
(doi: 10.1039/d4cp03115f)
Bringing Molecules Together: Synergistic Coadsorption at Dopant Sites of Single Atom Alloys
– J Am Chem Soc
(2024)
146,
28119
(doi: 10.1021/jacs.4c07621)
The wetting of H2O by CO2.
– The Journal of chemical physics
(2024)
161,
084711
(doi: 10.1063/5.0224230)
Quasi-one-dimensional hydrogen bonding in nanoconfined ice.
– Nat Commun
(2024)
15,
7301
(doi: 10.1038/s41467-024-51124-z)
How Accurate Are Simulations and Experiments for the Lattice Energies of Molecular Crystals?
– Physical review letters
(2024)
133,
046401
Local probing of the nanoscale hydration landscape of kaolinite basal facets in the presence of ions
– Materials Today Physics
(2024)
46,
101504
(doi: 10.1016/j.mtphys.2024.101504)
Control of proton transport and hydrogenation in double-gated graphene.
– Nature
(2024)
630,
619
(doi: 10.1038/s41586-024-07435-8)
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters
– J Chem Theory Comput
(2024)
20,
5306
(doi: 10.1021/acs.jctc.4c00379)
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water.
– Journal of Physical Chemistry Letters
(2024)
15,
6081
(doi: 10.1021/acs.jpclett.4c01030)
The Interplay of Solvation and Polarization Effects on Ion Pairing in Nanoconfined Electrolytes.
– Nano Lett
(2024)
24,
5024
(doi: 10.1021/acs.nanolett.4c00890)
Dynamics and nano-rheology of interfacial water: general discussion.
– Faraday Discuss
(2024)
249,
243
(doi: 10.1039/d3fd90064a)
The limit of macroscopic homogeneous ice nucleation at the nanoscale
– Faraday Discuss
(2024)
249,
210
(doi: 10.1039/d3fd00099k)
Ten-electron count rule for the binding of adsorbates on single-atom alloy catalysts.
– Nat Chem
(2024)
16,
749
(doi: 10.1038/s41557-023-01424-6)