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Journal Articles

Coalescence of liquid or gel-like DNA-encapsulating microdroplets

Takashi Nishio, Helmut Schiessel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 134904 (2024)
https://doi.org/10.1063/5.0223951
Published: October 2024
View article titled, Coalescence of liquid or gel-like DNA-encapsulating microdroplets
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Journal Articles

Impact of tip curvature and edge rounding on the plasmonic properties of gold nanorods and their silver-coated counterparts

Charles Vernier, Hervé Portalès
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 124711 (2024)
https://doi.org/10.1063/5.0228434
Published: September 2024
View article titled, Impact of tip curvature and edge rounding on the plasmonic properties of gold nanorods and their silver-coated counterparts
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Journal Articles

Film swelling and contaminant adsorption at polymer coated surfaces: Insights from density functional theory

Laura J. Douglas Frink, Frank van Swol, Anthony P. Malanoski, Dimiter N. Petsev
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 114710 (2024)
https://doi.org/10.1063/5.0225085
Published: September 2024
View article titled, Film swelling and contaminant adsorption at polymer coated surfaces: Insights from density functional theory
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Journal Articles

Balancing thermodynamic stability, dynamics, and kinetics in phase separation of intrinsically disordered proteins

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Guoqing Zhang, Xiakun Chu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 095102 (2024)
https://doi.org/10.1063/5.0220861
Published: September 2024
View article titled, Balancing thermodynamic stability, dynamics, and kinetics in phase separation of intrinsically disordered proteins
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Journal Articles

Machine learning assisted sorting of active microswimmers

Abdolhalim Torrik, Mahdi Zarif
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 094907 (2024)
https://doi.org/10.1063/5.0216862
Published: September 2024
View article titled, Machine learning assisted sorting of active microswimmers
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Journal Articles

Determination of γ/γ′ interface free energy for solid state precipitation in Ni–Al alloys from molecular dynamics simulation

Jacob P. Tavenner, Mikhail I. Mendelev, Raymond Neuberger, Raymundo Arroyave, Richard Otis, John W. Lawson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 041102 (2024)
https://doi.org/10.1063/5.0217993
Published: July 2024
View article titled, Determination of γ/γ′ interface free energy for solid state precipitation in Ni–Al alloys from molecular dynamics simulation
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Journal Articles

pyMBE: The Python-based molecule builder for ESPResSo

David Beyer, Paola B. Torres, Sebastian P. Pineda, Claudio F. Narambuena, Jean-Noël Grad, Peter Košovan, Pablo M. Blanco
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 022502 (2024)
https://doi.org/10.1063/5.0216389
Published: July 2024
View article titled, pyMBE: The Python-based molecule builder for ESPResSo
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Journal Articles

Complex dynamics of partially freezable confined water revealed by combined experimental and computational studies

Elisa Steinrücken, Max Weigler, Sebastian Kloth, Michael Vogel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 014706 (2024)
https://doi.org/10.1063/5.0215451
Published: July 2024
View article titled, Complex dynamics of partially freezable confined water revealed by combined experimental and computational studies
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Journal Articles

Pillared graphene oxide frameworks for the adsorption and separation of polar protic and aprotic liquid solvents: The cases of pure water, methanol, dimethyl sulfoxide, and dimethyl sulfoxide–water mixtures

Ioannis Skarmoutsos, Emmanuel N. Koukaras, Emmanuel Klontzas
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 184701 (2024)
https://doi.org/10.1063/5.0203165
Published: May 2024
View article titled, Pillared graphene oxide frameworks for the adsorption and separation of polar protic and aprotic liquid solvents: The cases of pure water, methanol, dimethyl sulfoxide, and dimethyl sulfoxide–water mixtures
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Journal Articles

Depletion forces in dense mixtures of spheres and rods

Jorge J. Pedrozo-Romero, Gabriel Pérez-Ángel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 134502 (2024)
https://doi.org/10.1063/5.0189387
Published: April 2024
View article titled, Depletion forces in dense mixtures of spheres and rods
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Journal Articles

High-throughput computational screening of MOF adsorbents for efficient propane capture from air and natural gas mixtures

Goktug Ercakir, Gokhan Onder Aksu, Seda Keskin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 084706 (2024)
https://doi.org/10.1063/5.0189493
Published: February 2024
View article titled, High-throughput computational screening of MOF adsorbents for efficient propane capture from air and natural gas mixtures
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Includes: Supplementary data
Journal Articles

Reversed dynamics of bottlebrush polymers with stiff backbone and flexible side chains

Bruno Jakobi, Karin J. Bichler, Fanni Juranyi, Gerald J. Schneider
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 084901 (2024)
https://doi.org/10.1063/5.0184429
Published: February 2024
View article titled, Reversed dynamics of bottlebrush polymers with stiff backbone and flexible side chains
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Includes: Supplementary data
Journal Articles

Investigating microstructure evolution in block copolymer membranes

Anthony J. Cooper, Douglas J. Grzetic, Kris T. Delaney, Glenn H. Fredrickson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 074903 (2024)
https://doi.org/10.1063/5.0188196
Published: February 2024
View article titled, Investigating microstructure evolution in block copolymer membranes
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Includes: Supplementary data
Journal Articles

Growth kinetics and morphology characterization of binary polymeric fluid under random photo-illumination

Ashish Kumar Singh, Avinash Chauhan, Awaneesh Singh
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 024907 (2024)
https://doi.org/10.1063/5.0181688
Published: January 2024
View article titled, Growth kinetics and morphology characterization of binary polymeric fluid under random photo-illumination
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Includes: Supplementary data
Journal Articles

Non-equilibrium molecular dynamics of steady-state fluid transport through a 2D membrane driven by a concentration gradient

Daniel J. Rankin, David M. Huang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 214705 (2023)
https://doi.org/10.1063/5.0178576
Published: December 2023
View article titled, Non-equilibrium molecular dynamics of steady-state fluid transport through a 2D membrane driven by a concentration gradient
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Includes: Supplementary data
Journal Articles

Effect of amphiphilic polymers on phase separating binary mixtures: A DPD simulation study

Avinash Chauhan, Dorothy Gogoi, Sanjay Puri, Awaneesh Singh
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 204901 (2023)
https://doi.org/10.1063/5.0173817
Published: November 2023
View article titled, Effect of amphiphilic polymers on phase separating binary mixtures: A DPD simulation study
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Journal Articles

Anisotropic particle multiphase equilibria in nonuniform fields

Philippe B. Baron, Rachel S. Hendley, Michael A. Bevan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 124902 (2023)
https://doi.org/10.1063/5.0169659
Published: September 2023
View article titled, Anisotropic particle multiphase equilibria in nonuniform fields
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Journal Articles

Simple lattice model explains equilibrium separation phenomena in glassy polymers

Tianmu Yuan, Maria Grazia De Angelis, Lev Sarkisov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 054705 (2023)
https://doi.org/10.1063/5.0159512
Published: August 2023
View article titled, Simple lattice model explains equilibrium separation phenomena in glassy polymers
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Includes: Supplementary data
Journal Articles

Self-ejection of salts and other foulants from superhydrophobic surfaces to enable sustainable anti-fouling

Samantha A. McBride, John R. Lake, Kripa K. Varanasi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 134721 (2023)
https://doi.org/10.1063/5.0142428
Published: April 2023
View article titled, Self-ejection of salts and other foulants from superhydrophobic surfaces to enable sustainable anti-fouling
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Includes: Supplementary data
Journal Articles

Development of composite optical waveguide based on azobenzene-modified titanium metal-organic framework film for study of gas adsorption kinetics

Patima Nizamidin, Caiping Guo, Xiangdi Du, Qin Yang, Huifang Chen, Abliz Yimit
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 124707 (2023)
https://doi.org/10.1063/5.0138186
Published: March 2023
View article titled, Development of composite optical waveguide based on azobenzene-modified titanium metal-organic framework film for study of gas adsorption kinetics
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Includes: Supplementary data