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- Currently displaying 41 - 55 of 55 publications
Ice is born in low-mobility regions of supercooled liquid water
Proceedings of the National Academy of Sciences
(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
Proceedings of the National Academy of Sciences
(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
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
Chem Rev
(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
J Phys Chem C Nanomater Interfaces
(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
J Chem Phys
(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
J Chem Phys
(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
Phys Chem Chem Phys
(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)
