Publications

Computer prediction of second harmonic generation at interfaces: NaCl aqueous solution in contact with (101) quartz surfaces

N. Shukurov; A. Djeukeng Momo; Z. Futera; B. Chu; A. Marchioro et al. 

Journal of Molecular Liquids. 2025. Vol. 438, p. 128539. DOI : 10.1016/j.molliq.2025.128539.

Unraveling the Molecular Pathways for Structure “Making” and “Breaking” by Ions in Water

M. Flór; V. Vorobev; V. Mandalaparthy; N. F. A. van der Vegt; P. S. Cremer et al. 

Journal of the American Chemical Society. 2025. DOI : 10.1021/jacs.5c10984.

Interfacial Self-Assembly of Sugars at Nanoscale Membranes Leads to Micron-Scale, Spectroscopically Ice-Like Chiral Suprastructures of Water

L. Zhang; J. Liu; K. Voïtchovsky; C. E. Rani; S. Pullanchery et al. 

Journal of the American Chemical Society. 2025. DOI : 10.1021/jacs.5c05215.

Solvent Redistribution Method To Determine Solubility and Aggregation: High Throughput, Accuracy, and Sustainability

O. B. Tarun; N. Dupertuis; D. M. Wilkins; S. Roke 

The Journal of Physical Chemistry B. 2025. DOI : 10.1021/acs.jpcb.5c03073.

Sum-Frequency Scattering Spectroscopy Reveals the Charging Mechanism and Surface Structure of hBN Nanoflakes in Solution

B. Rehl; N. Ronceray; L. Zhang; A. Rađenović; S. Roke 

ACS Nano. 2025. DOI : 10.1021/acsnano.5c03589.

Finite Volume Effects in Water Nanodroplets: A Molecular Level Investigation

L. Zhang; S. Pullanchery; P. S. Cremer; S. Roke 

ACS Nano. 2025. DOI : 10.1021/acsnano.5c04422.

Optical Properties Control of Hollow Core Microstructured Optical Fibers by Layer-by-Layer Assembled Quantum Dots and Annealing

V. Vorobev; O. Goryacheva; J. Skibina; A. Kozyrev; A. Smirnov et al. 

ANNALEN DER PHYSIK. 2025. DOI : 10.1002/andp.202400147.

Membrane Potential Fluctuations and Water Asymmetry on Plasma Cell and Model Lipid Membranes: Origins, Implications and Properties

Z. Li; I. Swiderska; L. Dalifoski; S. Lee; N. A. Correa-Rojas et al. 

FARADAY DISCUSSIONS. 2025. DOI : 10.1039/d4fd00197d.

Method, computer readable medium and apparatus for determining an aggregation state of a solute in a solvent

O. B. Tarun; N. Dupertuis; S. Roke 

WO2025082878; EP4542204.

2025.

Correlated vibrational spectroscopy: A new window into molecular interactions

M. S. Flór / S. Roke (Dir.)  

Lausanne, EPFL, 2025. 

Droplets inside out: Molecular level studies of water at nanoscale aqueous interfaces

L. Zhang / S. Roke (Dir.)  

Lausanne, EPFL, 2025. 

Dissecting the hydrogen bond network of water: Charge transfer and nuclear quantum effects

M. Flór; D. M. Wilkins; M. de la Puente; D. Laage; G. Cassone et al. 

Science. 2024. Vol. 386, num. 6726. DOI : 10.1126/science.ads4369.

pH drives electron density fluctuations that enhance electric field-induced liquid flow

S. Pullanchery; S. Kulik; T. Schönfeldová; C. K. Egan; G. Cassone et al. 

Nature Communications. 2024. Vol. 15, num. 1. DOI : 10.1038/s41467-024-50030-8.

Dynamic Second Harmonic Imaging of Proton Translocation Through Water Needles in Lipid Membranes

S. Lee; C. S. Poojari; A. Maznichenko; D. Roesel; I. Swiderska et al. 

Journal of the American Chemical Society. 2024. Vol. 146, num. 29, p. 19818 – 19827. DOI : 10.1021/jacs.4c02810.

Does the ionic distribution in the electrical double layer modify second harmonic scattering?

B. Chu; S. Roke; A. Marchioro 

The Journal of Chemical Physics. 2024. Vol. 160, num. 19. DOI : 10.1063/5.0198247.

Dissecting the membrane association mechanism of aerolysin pore at femtomolar concentrations using water as a probe

T. Roesel; C. Cao; J. F. Bada Juarez; M. Dal Peraro; S. Roke 

2024.

Second harmonic scattering of nanoparticles: A journey into the electrical double layer

B. Chu / S. Roke; A. Marchioro (Dir.)  

Lausanne, EPFL, 2024. 

Quantified interface chemistry and biophysics via water imaging

S. Roke 

2024. Conference on Advanced Chemical Microscopy for Life Science and Translational Medicine, San Francisco, CA, JAN 27-29, 2024. DOI : 10.1117/12.3003675.

Rapid low-cost hyperspectral imaging system for quantitative assessment of infantile hemangioma

S. Perkov; V. Vorobev; M. A. Kurochkin; S. Gorodkov; D. Gorin 

Journal Of Biophotonics. 2023. DOI : 10.1002/jbio.202300375.

Liposomes and Lipid Droplets Display a Reversal of Charge-Induced Hydration Asymmetry

S. Pullanchery; N. Dupertuis; T. Roesel; S. Roke 

Nano Letters. 2023. Vol. 23, num. 21, p. 9858 – 9864. DOI : 10.1021/acs.nanolett.3c02653.