Page 1 | Search Results | The Journal of Chemical Physics

1-20 of 224

Sort by

Sort Order Select

Journal Articles

Hybrid neMD/MC lipid swapping algorithm to equilibrate membrane simulation with thermodynamic reservoir

Florence Szczepaniak, François Dehez, Benoît Roux

J. Chem. Phys. 161, 194106 (2024)

https://doi.org/10.1063/5.0230226

Published: November 2024

View article titled, Hybrid neMD/MC lipid swapping algorithm to equilibrate membrane simulation with thermodynamic reservoir

Journal Articles

Neural network-assisted model of interfacial fluids with explicit coarse-grained molecular structures

Shuhao Ma, Dechang Li, Xuejin Li, Guoqing Hu

J. Chem. Phys. 161, 174110 (2024)

https://doi.org/10.1063/5.0230195

Published: November 2024

View article titled, Neural network-assisted model of interfacial fluids with explicit coarse-grained molecular structures

Journal Articles

Difference in structural changes of surfactant aggregates near solid surface under shear flow versus those in the bulk

Fumiya Nemoto, Fumi Takabatake, Norifumi L. Yamada, Shin-ichi Takata, Hideki Seto

J. Chem. Phys. 161, 164902 (2024)

https://doi.org/10.1063/5.0232638

Published: October 2024

View article titled, Difference in structural changes of surfactant aggregates near solid surface under shear flow versus those in the bulk

Journal Articles

Insights into the phase behavior at interfaces using vibrational sum frequency generation spectroscopy

Anaranya Ghorai, Chayan Dutta

J. Chem. Phys. 161, 151002 (2024)

https://doi.org/10.1063/5.0229332

Published: October 2024

View article titled, Insights into the phase behavior at interfaces using vibrational sum frequency generation spectroscopy

Journal Articles

Channel-facilitated transport under resetting dynamics

Suvam Pal, Denis Boyer, Leonardo Dagdug, Arnab Pal

J. Chem. Phys. 161, 144114 (2024)

https://doi.org/10.1063/5.0231306

Published: October 2024

View article titled, Channel-facilitated transport under resetting dynamics

Journal Articles

Aging affects the mechanical interaction between microplastics and lipid bilayers

Jean-Baptiste Fleury, Vladimir A. Baulin

J. Chem. Phys. 161, 144902 (2024)

https://doi.org/10.1063/5.0232678

Published: October 2024

View article titled, Aging affects the mechanical interaction between microplastics and lipid bilayers

Journal Articles

Influence of phospholipid head and tail molecular structures on cell membrane mechanical response under tension

Anh T. N. Vo, Michael A. Murphy, Raj K. Prabhu, Tonya W. Stone

J. Chem. Phys. 161, 085103 (2024)

https://doi.org/10.1063/5.0214893

Published: August 2024

View article titled, Influence of phospholipid head and tail molecular structures on cell membrane mechanical response under tension

Includes: Supplementary data

Journal Articles

Influence of cholesterol on hydrogen-bond dynamics of water molecules in lipid-bilayer systems at varying temperatures

Kokoro Shikata, Kento Kasahara, Nozomi Morishita Watanabe, Hiroshi Umakoshi, Kang Kim, Nobuyuki Matubayasi

J. Chem. Phys. 161, 015102 (2024)

https://doi.org/10.1063/5.0208008

Published: July 2024

View article titled, Influence of cholesterol on hydrogen-bond dynamics of water molecules in lipid-bilayer systems at varying temperatures

Journal Articles

Selection of antioxidants for capacitor grade polypropylene film: Insights into electrical performance of the oil-film system

Hua Li, Yucheng Wang, Ziqin Huang, Kangyu Zhu, Fuchang Lin, Jingqi Liu

J. Chem. Phys. 160, 214116 (2024)

https://doi.org/10.1063/5.0209700

Published: June 2024

View article titled, Selection of antioxidants for capacitor grade polypropylene film: Insights into electrical performance of the oil-film system

Journal Articles

Prevention and characterization of thin film defects induced by contaminant aggregates in initiated chemical vapor deposition

Simon Shindler, Trevor Franklin, Rong Yang

J. Chem. Phys. 160, 144904 (2024)

https://doi.org/10.1063/5.0195014

Published: April 2024

View article titled, Prevention and characterization of thin film defects induced by contaminant aggregates in initiated chemical vapor deposition

Includes: Supplementary data

Journal Articles

Horizontal to perpendicular transition of lamellar and cylinder phases in block copolymer films induced by interface segregation of single-chain nanoparticles during solvent evaporation

Zhao Qian (骞钊), Rui Shi (施睿), Zhong-Yuan Lu (吕中元), Hu-Jun Qian (钱虎军)

J. Chem. Phys. 159, 124901 (2023)

https://doi.org/10.1063/5.0166202

Published: September 2023

View article titled, Horizontal to perpendicular transition of lamellar and cylinder phases in block copolymer films induced by interface segregation of single-chain nanoparticles during solvent evaporation

Includes: Supplementary data

Journal Articles

Extension of the iSoLF implicit-solvent coarse-grained model for multicomponent lipid bilayers

Diego Ugarte La Torre, Shoji Takada, Yuji Sugita

J. Chem. Phys. 159, 075101 (2023)

https://doi.org/10.1063/5.0160417

Published: August 2023

View article titled, Extension of the iSoLF implicit-solvent coarse-grained model for multicomponent lipid bilayers

Includes: Supplementary data

Journal Articles

Enhanced interlayer adhesion of wetted graphene oxide by confined water bridge

Yanyan Zhao, Ke Zhou, Yilun Liu

J. Chem. Phys. 159, 024707 (2023)

https://doi.org/10.1063/5.0155956

Published: July 2023

View article titled, Enhanced interlayer adhesion of wetted graphene oxide by confined water bridge

Includes: Supplementary data

Journal Articles

Fick–Jacobs description and first passage dynamics for diffusion in a channel under stochastic resetting

Siddharth Jain, Denis Boyer, Arnab Pal, Leonardo Dagdug

J. Chem. Phys. 158, 054113 (2023)

https://doi.org/10.1063/5.0135249

Published: February 2023

View article titled, Fick–Jacobs description and first passage dynamics for diffusion in a channel under stochastic resetting

Journal Articles

Local order parameter that distinguishes crystalline and amorphous portions in polymer crystal lamellae

F. Takano, M. Hiratsuka, T. Aoyagi, K. Z. Takahashi

J. Chem. Phys. 157, 174507 (2022)

https://doi.org/10.1063/5.0121669

Published: November 2022

View article titled, Local order parameter that distinguishes crystalline and amorphous portions in polymer crystal lamellae

Journal Articles

Charge transfer excitons in π -stacked thiophene oligomers and P3[Alkyl]T crystals: CIS calculations and electroabsorption spectroscopy

Smruti Ranjan Sahoo, Charles H. Patterson

J. Chem. Phys. 157, 074901 (2022)

https://doi.org/10.1063/5.0098575

Published: August 2022

View article titled, Charge transfer excitons in <em>π</em> -stacked thiophene oligomers and P3[Alkyl]T crystals: CIS calculations and electroabsorption spectroscopy

Includes: Supplementary data

Journal Articles

Orientational wetting and dynamical correlations toward glass transition on the surface of imidazolium-based ionic liquids

Min Liu, Huashan Liu, Hailong Peng

J. Chem. Phys. 157, 034701 (2022)

https://doi.org/10.1063/5.0099845

Published: July 2022

View article titled, Orientational wetting and dynamical correlations toward glass transition on the surface of imidazolium-based ionic liquids

Journal Articles

Phospholipid acyl tail affects lipid headgroup orientation and membrane hydration

Daria Maltseva, Grazia Gonella, Jean-Marie Ruysschaert, Mischa Bonn

J. Chem. Phys. 156, 234706 (2022)

https://doi.org/10.1063/5.0092237

Published: June 2022

View article titled, Phospholipid acyl tail affects lipid headgroup orientation and membrane hydration

Includes: Supplementary data

Journal Articles

Controlling cluster size in 2D phase-separating binary mixtures with specific interactions

Ivan Palaia, Anđela Šarić

J. Chem. Phys. 156, 194902 (2022)

https://doi.org/10.1063/5.0087769

Published: May 2022

View article titled, Controlling cluster size in 2D phase-separating binary mixtures with specific interactions

Includes: Supplementary data

Journal Articles

Mixing-demixing transition and void formation in quasi-2D binary mixtures on a sphere

D. Truzzolillo

J. Chem. Phys. 156, 034904 (2022)

https://doi.org/10.1063/5.0080352

Published: January 2022

View article titled, Mixing-demixing transition and void formation in quasi-2D binary mixtures on a sphere

NARROW

Topics

Hybrid neMD/MC lipid swapping algorithm to equilibrate membrane simulation with thermodynamic reservoir

Neural network-assisted model of interfacial fluids with explicit coarse-grained molecular structures

Difference in structural changes of surfactant aggregates near solid surface under shear flow versus those in the bulk

Insights into the phase behavior at interfaces using vibrational sum frequency generation spectroscopy

Channel-facilitated transport under resetting dynamics

Aging affects the mechanical interaction between microplastics and lipid bilayers

Influence of phospholipid head and tail molecular structures on cell membrane mechanical response under tension

Influence of cholesterol on hydrogen-bond dynamics of water molecules in lipid-bilayer systems at varying temperatures

Selection of antioxidants for capacitor grade polypropylene film: Insights into electrical performance of the oil-film system

Prevention and characterization of thin film defects induced by contaminant aggregates in initiated chemical vapor deposition

Horizontal to perpendicular transition of lamellar and cylinder phases in block copolymer films induced by interface segregation of single-chain nanoparticles during solvent evaporation

Extension of the iSoLF implicit-solvent coarse-grained model for multicomponent lipid bilayers

Enhanced interlayer adhesion of wetted graphene oxide by confined water bridge

Fick–Jacobs description and first passage dynamics for diffusion in a channel under stochastic resetting

Local order parameter that distinguishes crystalline and amorphous portions in polymer crystal lamellae

Charge transfer excitons in π -stacked thiophene oligomers and P3[Alkyl]T crystals: CIS calculations and electroabsorption spectroscopy

Orientational wetting and dynamical correlations toward glass transition on the surface of imidazolium-based ionic liquids

Phospholipid acyl tail affects lipid headgroup orientation and membrane hydration

Controlling cluster size in 2D phase-separating binary mixtures with specific interactions

Mixing-demixing transition and void formation in quasi-2D binary mixtures on a sphere

Resources

Explore

pubs.aip.org

Connect with AIP Publishing

Resources

Explore

pubs.aip.org

Connect with AIP Publishing

This Feature Is Available To Subscribers Only