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Journal Articles

Rate enhancement of gated drift-diffusion process by optimal resetting

Arup Biswas, Arnab Pal, Debasish Mondal, Somrita Ray
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 054111 (2023)
https://doi.org/10.1063/5.0154210
Published: August 2023
View article titled, Rate enhancement of gated drift-diffusion process by optimal resetting
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Journal Articles

Improving photovoltaic performance of light-responsive double-heterojunction nanorod light-emitting diodes

Conan Huang, Yiran Jiang, Gryphon A. Drake, Logan P. Keating, Moonsub Shim
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 244701 (2023)
https://doi.org/10.1063/5.0147782
Published: June 2023
View article titled, Improving photovoltaic performance of light-responsive double-heterojunction nanorod light-emitting diodes
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Includes: Supplementary data
Journal Articles

Photoelectron spectroscopy from a liquid flatjet

Dominik Stemer, Tillmann Buttersack, Henrik Haak, Sebastian Malerz, Hanns Christian Schewe, Florian Trinter, Karen Mudryk, Michele Pugini, Bruno Credidio, Robert Seidel, Uwe Hergenhahn, Gerard Meijer, Stephan Thürmer, Bernd Winter
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 234202 (2023)
https://doi.org/10.1063/5.0155182
Published: June 2023
View article titled, Photoelectron spectroscopy from a liquid flatjet
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Journal Articles

The nucleation, growth, and adhesion of water bridges in sliding nano-contacts

Felix Cassin, Rachid Hahury, Thibault Lançon, Steve Franklin, Bart Weber
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 224703 (2023)
https://doi.org/10.1063/5.0150276
Published: June 2023
View article titled, The nucleation, growth, and adhesion of water bridges in sliding nano-contacts
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Journal Articles

Allosteric communication between ACE2 active site and binding interface with SARS-CoV-2

Mauro L. Mugnai, D. Thirumalai
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 215102 (2023)
https://doi.org/10.1063/5.0137654
Published: June 2023
View article titled, Allosteric communication between ACE2 active site and binding interface with SARS-CoV-2
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Includes: Supplementary data
Journal Articles

When marbles challenge pearls

Panlin Jin, Kexin Zhao, Zoé Blin, Malou Allais, Timothée Mouterde, David Quéré
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 204709 (2023)
https://doi.org/10.1063/5.0150082
Published: May 2023
View article titled, When marbles challenge pearls
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Journal Articles

CNT effective interfacial energy and pre-exponential kinetic factor from measured NaCl crystal nucleation time distributions in contracting microdroplets

Ruel Cedeno, Romain Grossier, Nadine Candoni, Nicolas Levernier, Adrian E. Flood, Stéphane Veesler
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 194705 (2023)
https://doi.org/10.1063/5.0143704
Published: May 2023
View article titled, CNT effective interfacial energy and pre-exponential kinetic factor from measured NaCl crystal nucleation time distributions in contracting microdroplets
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Includes: Supplementary data
Journal Articles

Shape-induced crystallization of binary DNA-functionalized nanocubes

Yunhan Zhang, Giuliana Giunta, Haojun Liang, Marjolein Dijkstra
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 184902 (2023)
https://doi.org/10.1063/5.0148139
Published: May 2023
View article titled, Shape-induced crystallization of binary DNA-functionalized nanocubes
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Journal Articles

PluginPlay: Enabling exascale scientific software one module at a time

Ryan M. Richard, Kristopher Keipert, Jonathan Waldrop, Murat Keçeli, David Williams-Young, Raymond Bair, Jeffery Boschen, Zachery Crandall, Kevin Gasperich, Quazi Ishtiaque Mahmud, Ajay Panyala, Edward Valeev, Hubertus van Dam, Wibe A. de Jong, Theresa L. Windus
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 184801 (2023)
https://doi.org/10.1063/5.0147903
Published: May 2023
View article titled, PluginPlay: Enabling exascale scientific software one module at a time
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Journal Articles

A Deep Potential model for liquid–vapor equilibrium and cavitation rates of water

Ignacio Sanchez-Burgos, Maria Carolina Muniz, Jorge R. Espinosa, Athanassios Z. Panagiotopoulos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 184504 (2023)
https://doi.org/10.1063/5.0144500
Published: May 2023
View article titled, A Deep Potential model for liquid–vapor equilibrium and cavitation rates of water
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Includes: Supplementary data
Journal Articles

Nanofluidics at the crossroads

Paul Robin, Lydéric Bocquet
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 160901 (2023)
https://doi.org/10.1063/5.0143222
Published: April 2023
View article titled, Nanofluidics at the crossroads
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Journal Articles

Electrochemical hydrogen evolution on Pt-based catalysts from a theoretical perspective

Ke-Xiang Zhang, Zhi-Pan Liu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 141002 (2023)
https://doi.org/10.1063/5.0142540
Published: April 2023
View article titled, Electrochemical hydrogen evolution on Pt-based catalysts from a theoretical perspective
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Journal Articles

Multidimensional infrared diffusion-ordered spectroscopy in depletion mode distinguishes protein amyloids and monomers

Giulia Giubertoni, Federico Caporaletti, Rianne van Diest, Sander Woutersen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 124202 (2023)
https://doi.org/10.1063/5.0140132
Published: March 2023
View article titled, Multidimensional infrared diffusion-ordered spectroscopy in depletion mode distinguishes protein amyloids and monomers
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Includes: Supplementary data
Journal Articles

Ion filling of a one-dimensional nanofluidic channel in the interaction confinement regime

Paul Robin, Adrien Delahais, Lydéric Bocquet, Nikita Kavokine
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 124703 (2023)
https://doi.org/10.1063/5.0142110
Published: March 2023
View article titled, Ion filling of a one-dimensional nanofluidic channel in the interaction confinement regime
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Journal Articles

An operative framework to model mucus clearance in silico by coupling cilia motion with the liquid environment

Emeline Laborie, Simone Melchionna, Fabio Sterpone
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 095103 (2023)
https://doi.org/10.1063/5.0135216
Published: March 2023
View article titled, An operative framework to model mucus clearance <em>in silico</em> by coupling cilia motion with the liquid environment
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Includes: Supplementary data
Journal Articles

A “short blanket” dilemma for a state-of-the-art neural network potential for water: Reproducing experimental properties or the physics of the underlying many-body interactions?

Yaoguang Zhai, Alessandro Caruso, Sigbjørn Løland Bore, Zhishang Luo, Francesco Paesani
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 084111 (2023)
https://doi.org/10.1063/5.0142843
Published: February 2023
View article titled, A “short blanket” dilemma for a state-of-the-art neural network potential for water: Reproducing experimental properties or the physics of the underlying many-body interactions?
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Includes: Supplementary data
Journal Articles

Influence of hydrophobic moieties on the crystallization of amphiphilic DNA nanostructures

Michal Walczak, Ryan A. Brady, Adrian Leathers, Jurij Kotar, Lorenzo Di Michele
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 084501 (2023)
https://doi.org/10.1063/5.0132484
Published: February 2023
View article titled, Influence of hydrophobic moieties on the crystallization of amphiphilic DNA nanostructures
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Includes: Supplementary data
Journal Articles

Rheology of Pseudomonas fluorescens biofilms: From experiments to predictive DPD mesoscopic modeling

José Martín-Roca, Valentino Bianco, Francisco Alarcón, Ajay K. Monnappa, Paolo Natale, Francisco Monroy, Belen Orgaz, Ivan López-Montero, Chantal Valeriani
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 074902 (2023)
https://doi.org/10.1063/5.0131935
Published: February 2023
View article titled, Rheology of <em>Pseudomonas fluorescens</em> biofilms: From experiments to predictive DPD mesoscopic modeling
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Journal Articles

Phase diagrams—Why they matter and how to predict them

Pin Yu Chew, Aleks Reinhardt
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 030902 (2023)
https://doi.org/10.1063/5.0131028
Published: January 2023
View article titled, Phase diagrams—Why they matter and how to predict them
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Journal Articles

Ultrasensitive detection of SARS-CoV-2 S protein with aptamers biosensor based on surface-enhanced Raman scattering

Man-Man Gu, Peng-Cheng Guan, Shan-Shan Xu, Hong-Mei Li, Yi-Chuan Kou, Xiao-Dong Lin, Murugavel Kathiresan, Yanling Song, Yue-Jiao Zhang, Shang-Zhong Jin, Jian-Feng Li
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 024203 (2023)
https://doi.org/10.1063/5.0130011
Published: January 2023
View article titled, Ultrasensitive detection of SARS-CoV-2 S protein with aptamers biosensor based on surface-enhanced Raman scattering
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Includes: Supplementary data