Electronic structure computations of Newton Black Films

Fernando Bresme and Emilio Artacho

J. Mater. Chem., 2010, 20, 10351
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Conjugated bilayer structure of the homogeneous solid–liquid interface of metals

Yong Quan Wu, Kai Zhang, Jun Jiang Xiao, Ye Wei Jiang and Lin Lin Lv

Phys. Chem. Chem. Phys., 2020, 22, 11996
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Heat transfer in soft nanoscale interfaces: the influence of interface curvature

Anders Lervik, Fernando Bresme and Signe Kjelstrup

Soft Matter, 2009, 5, 2407
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Molecular dynamics modeling ofPseudomonas aeruginosaouter membranes

Ao Li, Jeffrey W. Schertzer and Xin Yong

Phys. Chem. Chem. Phys., 2018, 20, 23635
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Molecular dynamics simulation and identification of the truly interfacial molecules (ITIM) analysis of the liquid-vapor interface of dimethyl sulfoxide

Mária Darvas, Katalin Pojják, George Horvai and Pál Jedlovszky

The Journal of Chemical Physics, 2010, 132
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Intrinsic Structure of Hydrophobic Surfaces: The Oil-Water Interface

Fernando Bresme, Enrique Chacón, Pedro Tarazona and Kafui Tay

Phys. Rev. Lett., 2008, 101
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Capillary waves’ dynamics at the nanoscale

Rafael Delgado-Buscalioni, Enrique Chacón and Pedro Tarazona

J. Phys.: Condens. Matter, 2008, 20, 494229
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Interfacial layering and capillary roughness in immiscible liquids

P. Geysermans and V. Pontikis

The Journal of Chemical Physics, 2010, 133
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Thickness and fluctuations of free and adsorbed liquid films

Eva M. Fernández, Enrique Chacón and Pedro Tarazona

Phys. Rev. B, 2011, 84
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Hydrophobic nanoconfinement suppresses fluctuations in supercooled water

E G Strekalova, M G Mazza, H E Stanley and G Franzese

J. Phys.: Condens. Matter, 2012, 24, 064111
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Interfacial Thermodynamics of Water and Six Other Liquid Solvents

Tod A. Pascal and William A. Goddard

J. Phys. Chem. B, 2014, 118, 5943
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Surface reconstruction amendment to the intrinsic sampling method

Francis G. J. Longford, Jonathan W. Essex, Chris-Kriton Skylaris and Jeremy G. Frey

The Journal of Chemical Physics, 2018, 149
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The intrinsic interfacial structure of ionic surfactant monolayers at water–oil and water–vapour interfaces

Hector Martínez, Enrique Chacón, Pedro Tarazona and Fernando Bresme

Proc. R. Soc. A., 2011, 467, 1939
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Trends in structuring edible emulsions with Pickering fat crystals

Dérick Rousseau

Current Opinion in Colloid & Interface Science, 2013, 18, 283
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Molecular Simulations of Fluid Interfaces

Chung Chi Chio, Yutong Yang, Yufan Xia and Ying‐Lung Steve Tse

WIREs Comput Mol Sci, 2025, 15
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Sodium Dodecyl Sulfate at Water–Hydrophobic Interfaces: A Simulation Study

Robert Vácha and Sylvie Roke

J. Phys. Chem. B, 2012, 116, 11936
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Deconstructing Temperature Gradients across Fluid Interfaces: The Structural Origin of the Thermal Resistance of Liquid-Vapor Interfaces

Jordan Muscatello, Enrique Chacón, Pedro Tarazona and Fernando Bresme

Phys. Rev. Lett., 2017, 119
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Molecular-scale description of interfacial mass transfer in phase-separated aqueous secondary organic aerosol

Mária Lbadaoui-Darvas, Satoshi Takahama and Athanasios Nenes

Atmos. Chem. Phys., 2021, 21, 17687
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Comparative study of the surface layer density of liquid surfaces

E. Chacón, E. M. Fernández, D. Duque, R. Delgado-Buscalioni and P. Tarazona

Phys. Rev. B, 2009, 80
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Calculation of the intrinsic solvation free energy profile of methane across a liquid/liquid interface in computer simulations

Mária Darvas, Miguel Jorge, M. Natalia D.S. Cordeiro and Pál Jedlovszky

Journal of Molecular Liquids, 2014, 189, 39
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Hydrodynamics across a fluctuating interface

Edward R. Smith and Carlos Braga

The Journal of Chemical Physics, 2020, 153
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Learning Coarse-Grained Potentials for Binary Fluids

Peiyuan Gao, Xiu Yang and Alexandre M. Tartakovsky

J. Chem. Inf. Model., 2020, 60, 3731
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Structure of liquid–vapor interfaces: Perspectives from liquid state theory, large-scale simulations, and potential grazing-incidence x-ray diffraction

F. Höfling and S. Dietrich

The Journal of Chemical Physics, 2024, 160
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Comparison of the capillary wave method and pressure tensor route for calculation of interfacial tension in molecular dynamics simulations

Stella Nickerson, Denzil S. Frost, Harrison Phelan and Lenore L. Dai

J Comput Chem, 2013, 34, 2707
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Temperature and Pressure Dependence of the Properties of the Liquid−Liquid Interface. A Computer Simulation and Identification of the Truly Interfacial Molecules Investigation of the Water−Benzene System

Lívia B. Pártay, George Horvai and Pál Jedlovszky

J. Phys. Chem. C, 2010, 114, 21681
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Structure factor of fluctuating interfaces: From liquid surfaces to suspended graphene

Jose Hernández-Muñoz, Pedro Tarazona, Rafael Ramírez, Carlos P. Herrero and Enrique Chacón

Phys. Rev. B, 2019, 100
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A Critical Assessment of Methods for the Intrinsic Analysis of Liquid Interfaces. 1. Surface Site Distributions

Miguel Jorge, Pál Jedlovszky and M. Natália D. S. Cordeiro

J. Phys. Chem. C, 2010, 114, 11169
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Salt effects on water/hydrophobic liquid interfaces: a molecular dynamics study

Chao Zhang and Paolo Carloni

J. Phys.: Condens. Matter, 2012, 24, 124109
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AnomalousζPotential in Foam Films

Laurent Joly, François Detcheverry and Anne-Laure Biance

Phys. Rev. Lett., 2014, 113
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A Critical Assessment of Methods for the Intrinsic Analysis of Liquid Interfaces: 2. Density Profiles

Miguel Jorge, György Hantal, Pál Jedlovszky and M. Natália D. S. Cordeiro

J. Phys. Chem. C, 2010, 114, 18656
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Calculation of the Intrinsic Solvation Free Energy Profile of an Ionic Penetrant Across a Liquid–Liquid Interface with Computer Simulations

Mária Darvas, Miguel Jorge, M. Natalia D. S. Cordeiro, Sofia S. Kantorovich, Marcello Sega and Pál Jedlovszky

J. Phys. Chem. B, 2013, 117, 16148
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Ion at Air–Water Interface Enhances Capillary Wave Fluctuations: Energetics of Ion Adsorption

Yanbin Wang, Shayandev Sinha, Parth Rakesh Desai, Haoyuan Jing and Siddhartha Das

J. Am. Chem. Soc., 2018, 140, 12853
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Retardation of Water Reorientation at the Oil/Water Interface

Meng Chen, Xiancai Lu, Xiandong Liu, Qingfeng Hou, Youyi Zhu and Huiqun Zhou

J. Phys. Chem. C, 2015, 119, 16639
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Intrinsic water layering next to soft, solid, hydrophobic, and hydrophilic substrates

Meng Chen, Lin Li, Runliang Zhu, Jianxi Zhu and Hongping He

The Journal of Chemical Physics, 2020, 153
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Thermodynamics and Intrinsic Structure of the Al–Pb Liquid–Liquid Interface: A Molecular Dynamics Simulation Study

Yang Yang and Brian B. Laird

J. Phys. Chem. B, 2014, 118, 8373
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Capillary waves as eigenmodes of the density correlation at liquid surfaces

Jose Hernández-Muñoz, Enrique Chacón and Pedro Tarazona

The Journal of Chemical Physics, 2018, 148
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Unsupervised Learning Unravels the Structure of Four-Arm and Linear Block Copolymer Micelles

Robert M. Ziolek, Paul Smith, Demi L. Pink, Cécile A. Dreiss and Christian D. Lorenz

Macromolecules, 2021, 54, 3755
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Structural and Dynamic Heterogeneity of Capillary Wave Fronts at Aqueous Interfaces

Tiecheng Zhou, Alex McCue, Yasaman Ghadar, Imre Bakó and Aurora E. Clark

J. Phys. Chem. B, 2017, 121, 9052
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Force-field dependence on the interfacial structure of oil–water interfaces

Fernando Bresme, Enrique Chacón and Pedro Tarazona

Molecular Physics, 2010, 108, 1887
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The structure of ionic aqueous solutions at interfaces: An intrinsic structure analysis

Fernando Bresme, Enrique Chacón, Pedro Tarazona and Aaron Wynveen

The Journal of Chemical Physics, 2012, 137
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Preferential Orientations and Anomalous Interfacial Tensions in Aqueous Solutions of Alcohols

Jesús Algaba, José Manuel Mı́guez, Paula Gómez-Álvarez, Andrés Mejı́a and Felipe J. Blas

J. Phys. Chem. B, 2020, 124, 8388
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Density correlation in liquid surfaces: Bedeaux-Weeks high order terms and non capillary wave background

Jose Hernández-Muñoz, Enrique Chacón and Pedro Tarazona

The Journal of Chemical Physics, 2018, 149
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Molecular Level Properties of the Water−Dichloromethane Liquid/Liquid Interface, as Seen from Molecular Dynamics Simulation and Identification of Truly Interfacial Molecules Analysis

György Hantal, Péter Terleczky, George Horvai, László Nyulászi and Pál Jedlovszky

J. Phys. Chem. C, 2009, 113, 19263
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Structure and Mass Transport Characteristics at the Intrinsic Liquid–Vapor Interfaces of Alkanes

Hari Krishna Chilukoti, Gota Kikugawa and Taku Ohara

J. Phys. Chem. B, 2016, 120, 7207
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The Water-Alkane Interface at Various NaCl Salt Concentrations: A Molecular Dynamics Study of the Readily Available Force Fields

Thomas R. Underwood and H. Chris Greenwell

Sci Rep, 2018, 8
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Adhesive transitions in Newton black films: A computer simulation study

Fernando Bresme, Enrique Chacón, Héctor Martínez and Pedro Tarazona

The Journal of Chemical Physics, 2011, 134
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The Intrinsic Fragility of the Liquid–Vapor Interface: A Stress Network Perspective

Muhammad Rizwanur Rahman, Li Shen, James P. Ewen, Daniele Dini and E. R. Smith

Langmuir, 2022, 38, 4669
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Specific Counterion Effects on the Atomistic Structure and Capillary-Waves Fluctuation of the Water/Vapor Interface Covered by Sodium Dodecyl Sulfate

Meng Chen, Xiancai Lu, Xiandong Liu, Qingfeng Hou, Youyi Zhu and Huiqun Zhou

J. Phys. Chem. C, 2014, 118, 19205
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Properties of the Liquid−Vapor Interface of Water−Dimethyl Sulfoxide Mixtures. A Molecular Dynamics Simulation and ITIM Analysis Study

Katalin Pojják, Mária Darvas, George Horvai and Pál Jedlovszky

J. Phys. Chem. C, 2010, 114, 12207
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Instantaneous Liquid Interfaces

Adam P. Willard and David Chandler

J. Phys. Chem. B, 2010, 114, 1954
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Effect of Polymer/Solid and Polymer/Vapor Instantaneous Interfaces on the Interfacial Structure and Dynamics of Polymer Melt Systems

Selemon Bekele and Mesfin Tsige

Langmuir, 2016, 32, 7151
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Molecular level properties of the free water surface and different organic liquid/water interfaces, as seen from ITIM analysis of computer simulation results

György Hantal, Mária Darvas, Lívia B Pártay, George Horvai and Pál Jedlovszky

J. Phys.: Condens. Matter, 2010, 22, 284112
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The molecular structure of the interface between water and a hydrophobic substrate is liquid-vapor like

Adam P. Willard and David Chandler

The Journal of Chemical Physics, 2014, 141
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Nonequilibrium study of the intrinsic free-energy profile across a liquid-vapour interface

Carlos Braga, Jordan Muscatello, Gabriel Lau, Erich A. Müller and George Jackson

The Journal of Chemical Physics, 2016, 144
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Newton black films as wetting systems

Pedro Tarazona, Hector Martínez, Enrique Chacón and Fernando Bresme

Phys. Rev. B, 2012, 85
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Response properties at the dynamic water/dichloroethane liquid–liquid interface

Zhu Liu, Thomas Stecher, Harald Oberhofer, Karsten Reuter and Christoph Scheurer

Molecular Physics, 2018, 116, 3409
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Layering and capillary waves in the structure factor of liquid surfaces

Jose Hernández-Muñoz, Pedro Tarazona and Enrique Chacón

The Journal of Chemical Physics, 2022, 157
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Intrinsic Stress Field for Liquid Surfaces

Zi-Feng Yuan, Brian B. Laird, Cheng-Jie Xia, Xiang-Ming Ma, Hong-Tao Liang and Yang Yang

Phys. Rev. Lett., 2024, 132
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Amphiphilic Character and Aggregation Properties of Small Cholesterol Islands on Water: A Simulation Study

S. R. T. Cromie, M. G. Del Pópolo and P. Ballone

J. Phys. Chem. B, 2009, 113, 4674
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Mechanistic Insights into the Adsorption of Monoclonal Antibodies at the Water/Vapor Interface

Suman Saurabh, Qinkun Zhang, Zongyi Li, John M. Seddon, Cavan Kalonia, Jian R. Lu and Fernando Bresme

Mol. Pharmaceutics, 2024, 21, 704
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