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- Currently displaying 41 - 56 of 56 publications
Stabilization of AgI's polar surfaces by the aqueous environment, and its implications for ice formation.
Physical chemistry chemical physics : PCCP
(2019)
21
14546
(doi: 10.1039/c9cp02193k)
Ice is born in low-mobility regions of supercooled liquid water.
Proc Natl Acad Sci U S A
(2019)
116
2009
(doi: 10.1073/pnas.1817135116)
Interfacial ion solvation: Obtaining the thermodynamic limit from molecular simulations.
J Chem Phys
(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
(2016)
355
367
(doi: 10.1126/science.aai8034)
Toward Accurate Adsorption Energetics on Clay Surfaces
J Phys Chem C Nanomater Interfaces
(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.
Journal of the American Chemical Society
(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.
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 Discuss
(2013)
167
389
(doi: 10.1039/c3fd00059a)
Non-hexagonal ice at hexagonal surfaces: the role of lattice mismatch.
Physical Chemistry Chemical Physics
(2012)
14
7944
(doi: 10.1039/c2cp23438f)
Free-energy-based method for step size detection of processive molecular motors.
The European physical journal. E, Soft matter
(2010)
31
411
(doi: 10.1140/epje/i2010-10590-6)
