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- Currently displaying 41 - 58 of 58 publications
Dielectric response with short-ranged electrostatics.
Proceedings of the National Academy of Sciences
(2020)
117
19746
(doi: 10.1073/PNAS.2005847117)
Finite field formalism for bulk electrolyte solutions
Journal of Chemical Physics
(2019)
151
064506
(doi: 10.1063/1.5099207)
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
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.
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
Journal of the American Chemical Society
(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 (New York, N.Y.)
(2016)
355
367
(doi: 10.1126/science.aai8034)
Toward accurate adsorption energetics on clay surfaces
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
The 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. II. Peeling back the layers.
Journal of Chemical Physics
(2015)
142
184705
(doi: 10.1063/1.4919715)
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)
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 Discussions
(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
The European Physical Journal E
(2010)
31
411
(doi: 10.1140/epje/i2010-10590-6)
