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- Currently displaying 41 - 54 of 54 publications
Interfacial ion solvation: Obtaining the thermodynamic limit from molecular simulations
The Journal of chemical physics
(2018)
148
222823
(doi: 10.1063/1.5020563)
Formation of Methane Hydrate in the Presence of Natural and Synthetic Nanoparticles.
J Am Chem Soc
(2018)
140
3277
(doi: 10.1021/jacs.7b12050)
Mechanism of ion adsorption to aqueous interfaces: Graphene/water vs. air/water.
Proc Natl Acad Sci U S A
(2017)
114
13369
(doi: 10.1073/pnas.1702760114)
Active sites in heterogeneous ice nucleation-the example of K-rich feldspars
Science (New York, N.Y.)
(2016)
355
367
(doi: 10.1126/science.aai8034)
Toward Accurate Adsorption Energetics on Clay Surfaces.
The Journal of Physical Chemistry C
(2016)
120
26402
(doi: 10.1021/acs.jpcc.6b09559)
Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations.
Chemical reviews
(2016)
116
7078
(doi: 10.1021/acs.chemrev.5b00744)
Can Ice-Like Structures Form on Non-Ice-Like Substrates? The Example of the K-feldspar Microcline
Journal of Physical Chemistry C
(2016)
120
6704
(doi: 10.1021/acs.jpcc.6b01155)
The Many Faces of Heterogeneous Ice Nucleation: Interplay between Surface Morphology and Hydrophobicity
J Am Chem Soc
(2015)
137
13658
(doi: 10.1021/jacs.5b08748)
Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity
The Journal of chemical physics
(2015)
142
184704
(doi: 10.1063/1.4919714)
Molecular simulations of heterogeneous ice nucleation. II. Peeling back the layers
The Journal of Chemical Physics
(2015)
142
184705
(doi: 10.1063/1.4919715)
Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo
The Journal of chemical physics
(2014)
140
174703
(doi: 10.1063/1.4871873)
The microscopic features of heterogeneous ice nucleation may affect the macroscopic morphology of atmospheric ice crystals
Faraday discussions
(2013)
167
389
(doi: 10.1039/c3fd00059a)
Non-hexagonal ice at hexagonal surfaces: the role of lattice mismatch.
Physical chemistry chemical physics : PCCP
(2012)
14
7944
(doi: 10.1039/c2cp23438f)
Free-energy-based method for step size detection of processive molecular motors
Eur Phys J E Soft Matter
(2010)
31
411
(doi: 10.1140/epje/i2010-10590-6)
