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Journal Articles

Unraveling abnormal collective effects via the non-monotonic number dependence of electron transfer in confined electromagnetic fields

Shravan Kumar Sharma, Hsing-Ta Chen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 104102 (2024)
https://doi.org/10.1063/5.0225434
Published: September 2024
View article titled, Unraveling abnormal collective effects via the non-monotonic number dependence of electron transfer in confined electromagnetic fields
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Journal Articles

Insight into properties of sizable glass former from volumetric measurements

Marzena Rams-Baron, Alfred Błażytko, Riccardo Casalini, Marian Paluch
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 064502 (2024)
https://doi.org/10.1063/5.0217660
Published: August 2024
View article titled, Insight into properties of sizable glass former from volumetric measurements
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Journal Articles

Evolution of liquid phase during homogenous non-equilibrium melting of Ta at superheating temperature

Yihan Wang, Tianmin Shao
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 054503 (2024)
https://doi.org/10.1063/5.0210714
Published: August 2024
View article titled, Evolution of liquid phase during homogenous non-equilibrium melting of Ta at superheating temperature
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Journal Articles

Enhancing (quasi-)long-range order in a two-dimensional driven crystal

R. Maire, A. Plati
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 054902 (2024)
https://doi.org/10.1063/5.0217958
Published: August 2024
View article titled, Enhancing (quasi-)long-range order in a two-dimensional driven crystal
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Journal Articles

Symmetry breaking charge transfer and control of the transition dipole moment in excited octupolar molecules

Nikolay B. Siplivy, Anatoly I. Ivanov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 194302 (2024)
https://doi.org/10.1063/5.0211030
Published: May 2024
View article titled, Symmetry breaking charge transfer and control of the transition dipole moment in excited octupolar molecules
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Journal Articles

Translocation of two-dimensional active polymers through nanopores using Langevin dynamics simulations

Han-Xian Hu, Yi-Fan Shen, Meng-Bo Luo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 184902 (2024)
https://doi.org/10.1063/5.0204321
Published: May 2024
View article titled, Translocation of two-dimensional active polymers through nanopores using Langevin dynamics simulations
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Includes: Supplementary data
Journal Articles

Measuring friction from simulations of folded graphene sheets

Charlie M. Rawlins, Gareth A. Tribello
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 174112 (2024)
https://doi.org/10.1063/5.0203397
Published: May 2024
View article titled, Measuring friction from simulations of folded graphene sheets
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Journal Articles

Comparative analysis of surface phase diagrams in aqueous environment: Implicit vs explicit solvation models

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Jing Yang, Mira Todorova, Jörg Neugebauer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 164715 (2024)
https://doi.org/10.1063/5.0190304
Published: April 2024
View article titled, Comparative analysis of surface phase diagrams in aqueous environment: Implicit vs explicit solvation models
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Includes: Supplementary data
Journal Articles

Impact of large A-site cations on electron–vibrational interactions in 2D halide perovskites: Ab initio quantum dynamics

Dandan Dai, Sraddha Agrawal, Oleg V. Prezhdo, Run Long
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 114704 (2024)
https://doi.org/10.1063/5.0202251
Published: March 2024
View article titled, Impact of large A-site cations on electron–vibrational interactions in 2D halide perovskites: <em>Ab initio</em> quantum dynamics
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Journal Articles

Effect of counterion size on polyelectrolyte conformations and thermodynamics

Souradeep Ghosh, Arindam Kundagrami
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 084909 (2024)
https://doi.org/10.1063/5.0178233
Published: February 2024
View article titled, Effect of counterion size on polyelectrolyte conformations and thermodynamics
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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

Highlighting the interdependence between volumetric contribution of fragility and cooperativity for polymeric segmental relaxation

Jules Trubert, Liubov Matkovska, Allisson Saiter-Fourcin, Laurent Delbreilh
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 044909 (2024)
https://doi.org/10.1063/5.0187941
Published: January 2024
View article titled, Highlighting the interdependence between volumetric contribution of fragility and cooperativity for polymeric segmental relaxation
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Includes: Supplementary data
Journal Articles

Coarsening dynamics of ternary polymer solutions with mobility and viscosity contrasts

Jan Ulric Garcia, Douglas R. Tree, Alyssa Bagoyo, Tatsuhiro Iwama, Kris T. Delaney, Glenn H. Fredrickson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 214904 (2023)
https://doi.org/10.1063/5.0173992
Published: December 2023
View article titled, Coarsening dynamics of ternary polymer solutions with mobility and viscosity contrasts
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Journal Articles

A density functional theory and simulation study of stripe phases in symmetric colloidal mixtures

Santi Prestipino, Davide Pini, Dino Costa, Gianpietro Malescio, Gianmarco Munaò
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 204902 (2023)
https://doi.org/10.1063/5.0177209
Published: November 2023
View article titled, A density functional theory and simulation study of stripe phases in symmetric colloidal mixtures
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Journal Articles

Driven transport of active particles through arrays of symmetric obstacles

Shubhadip Nayak, Sohom Das, Poulami Bag, Tanwi Debnath, Pulak K. Ghosh
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 164109 (2023)
https://doi.org/10.1063/5.0176523
Published: October 2023
View article titled, Driven transport of active particles through arrays of symmetric obstacles
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Journal Articles

Electronic coarse-graining of long conjugated molecules: Case study of non-fullerene acceptors

Andriy Zhugayevych, Kun-Han Lin, Denis Andrienko
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 024107 (2023)
https://doi.org/10.1063/5.0155488
Published: July 2023
View article titled, Electronic coarse-graining of long conjugated molecules: Case study of non-fullerene acceptors
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Includes: Supplementary data
Journal Articles

Scaling behavior for the detachment of a self-propelling filament from an attractive surface

Guo-qiang Feng, Wen-de Tian
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 164901 (2023)
https://doi.org/10.1063/5.0145868
Published: April 2023
View article titled, Scaling behavior for the detachment of a self-propelling filament from an attractive surface
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Includes: Supplementary data
Journal Articles

Effect of surfactants on the elasticity of the liquid–liquid interface

Shunta Kikuchi, Hiroshi Watanabe
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 124901 (2023)
https://doi.org/10.1063/5.0138733
Published: March 2023
View article titled, Effect of surfactants on the elasticity of the liquid–liquid interface
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Journal Articles

Micro-mechanical insights into the stress transmission in strongly aggregating colloidal gel

Yezaz Ahmed Gadi Man, Divas Singh Dagur, Saikat Roy
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 124902 (2023)
https://doi.org/10.1063/5.0137851
Published: March 2023
View article titled, Micro-mechanical insights into the stress transmission in strongly aggregating colloidal gel
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Journal Articles

Computational modeling of passive transport of functionalized nanoparticles

Daniela Moreno-Chaparro, Nicolas Moreno, Florencio Balboa Usabiaga, Marco Ellero
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 104108 (2023)
https://doi.org/10.1063/5.0136833
Published: March 2023
View article titled, Computational modeling of passive transport of functionalized nanoparticles
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