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Journal Articles

Isotropic ↔ anisotropic surface geometry transitions induced by adsorbed surfactants at water/vapor interfaces

Nitesh Kumar, Joshua Bilsky, Aurora E. Clark

J. Chem. Phys. 161, 184712 (2024)

https://doi.org/10.1063/5.0237563

Published: November 2024

View article titled, Isotropic ↔ anisotropic surface geometry transitions induced by adsorbed surfactants at water/vapor interfaces

Journal Articles

Predicting kinetics of spin-dependent reactions in an external magnetic field with nonadiabatic statistical theory

Mitra Rooein, Sergey A. Varganov

J. Chem. Phys. 161, 164306 (2024)

https://doi.org/10.1063/5.0232469

Published: October 2024

View article titled, Predicting kinetics of spin-dependent reactions in an external magnetic field with nonadiabatic statistical theory

Journal Articles

Effect of current collector on the coupled electro-chemo-mechanical performance of graphite electrodes in LiBs

Xiaolin Li, Jiahui Liu, Honghui Gu, Hainan Jiang, Linlin Song, Yaolong He, Dawei Li

J. Chem. Phys. 161, 154710 (2024)

https://doi.org/10.1063/5.0233210

Published: October 2024

View article titled, Effect of current collector on the coupled electro-chemo-mechanical performance of graphite electrodes in LiBs

Journal Articles

Modeling phase separation in solids beyond the classical nucleation theory: Application to FeCr

L. Luneville, O. Tissot, C. Pareige, D. Simeone

J. Chem. Phys. 161, 144708 (2024)

https://doi.org/10.1063/5.0226979

Published: October 2024

View article titled, Modeling phase separation in solids beyond the classical nucleation theory: Application to FeCr

Journal Articles

Mesomorphology of clathrate hydrates from molecular ordering

Carlos L. Bassani, Michael Engel, Amadeu K. Sum

J. Chem. Phys. 160, 190901 (2024)

https://doi.org/10.1063/5.0200516

Published: May 2024

View article titled, Mesomorphology of clathrate hydrates from molecular ordering

Journal Articles

Statistical theory of fluids confined in quenched disordered porous media

Mamta Yadav, Ankit Singh, Yashwant Singh

J. Chem. Phys. 160, 174117 (2024)

https://doi.org/10.1063/5.0203528

Published: May 2024

View article titled, Statistical theory of fluids confined in quenched disordered porous media

Journal Articles

Polarization of disk electrodes in high-conductivity electrolyte solutions

Kenneth K. Yamamoto, Anil Koklu, Ali Beskok, Vladimir S. Ajaev

J. Chem. Phys. 160, 054702 (2024)

https://doi.org/10.1063/5.0179083

Published: February 2024

View article titled, Polarization of disk electrodes in high-conductivity electrolyte solutions

Journal Articles

Development of a dynamic gas lock inhibited model for EUV-induced carbon deposition

Ming Hao, Shuai Teng, Jiaxing Liu, Yuanhua Xie, Dechun Ba, Xin Bian, Yaoshuai Ba, Zhengwei Chen, Kun Liu

J. Chem. Phys. 160, 044708 (2024)

https://doi.org/10.1063/5.0182717

Published: January 2024

View article titled, Development of a dynamic gas lock inhibited model for EUV-induced carbon deposition

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

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

Journal Articles

Quantum and anharmonic effects in non-adiabatic transition state theory

Clayton R. Mulvihill, Yuri Georgievskii, Stephen J. Klippenstein

J. Chem. Phys. 159, 174104 (2023)

https://doi.org/10.1063/5.0168612

Published: November 2023

View article titled, Quantum and anharmonic effects in non-adiabatic transition state theory

Includes: Supplementary data

Journal Articles

Multicomponent solutions: Combining rules for multisolute osmotic virial coefficients

Hikmat Binyaminov, Janet A. W. Elliott

J. Chem. Phys. 159, 164116 (2023)

https://doi.org/10.1063/5.0166482

Published: October 2023

View article titled, Multicomponent solutions: Combining rules for multisolute osmotic virial coefficients

Includes: Supplementary data

Journal Articles

Electron density-based protocol to recover the interacting quantum atoms components of intermolecular binding energy

Aleksei A. Anisimov, Ivan V. Ananyev

J. Chem. Phys. 159, 124113 (2023)

https://doi.org/10.1063/5.0167874

Published: September 2023

View article titled, Electron density-based protocol to recover the interacting quantum atoms components of intermolecular binding energy

Includes: Supplementary data

Journal Articles

Analytical refractory period distribution for a class of time-variant biochemical systems with second-order reactions

Changqian Rao, Wei Lin, Zhuoyi Song

J. Chem. Phys. 159, 124105 (2023)

https://doi.org/10.1063/5.0156276

Published: September 2023

View article titled, Analytical refractory period distribution for a class of time-variant biochemical systems with second-order reactions

Journal Articles

An extreme value statistics model of heterogeneous ice nucleation for quantifying the stability of supercooled aqueous systems

Anthony N. Consiglio, Yu Ouyang, Matthew J. Powell-Palm, Boris Rubinsky

J. Chem. Phys. 159, 064511 (2023)

https://doi.org/10.1063/5.0155494

Published: August 2023

View article titled, An extreme value statistics model of heterogeneous ice nucleation for quantifying the stability of supercooled aqueous systems

Journal Articles

Nonsolvent-induced phase separation inside liquid droplets

Rami Alhasan, Tanner A. Wilcoxson, Dakota S. Banks, Sion Jung, Douglas R. Tree

J. Chem. Phys. 158, 214903 (2023)

https://doi.org/10.1063/5.0143928

Published: June 2023

View article titled, Nonsolvent-induced phase separation inside liquid droplets

Includes: Supplementary data

Journal Articles

Hidden singularities in spontaneously polarized molecular solids

Andrew Cassidy, Frank P. Pijpers, David Field

J. Chem. Phys. 158, 144501 (2023)

https://doi.org/10.1063/5.0138642

Published: April 2023

View article titled, Hidden singularities in spontaneously polarized molecular solids

Includes: Supplementary data

Journal Articles

Model selection in atomistic simulation

Jonathan E. Moussa

J. Chem. Phys. 158, 134103 (2023)

https://doi.org/10.1063/5.0142248

Published: April 2023

View article titled, Model selection in atomistic simulation

Journal Articles

Model reduction for the Chemical Master Equation: An information-theoretic approach

Kaan Öcal, Guido Sanguinetti, Ramon Grima

J. Chem. Phys. 158, 114113 (2023)

https://doi.org/10.1063/5.0131445

Published: March 2023

View article titled, Model reduction for the Chemical Master Equation: An information-theoretic approach

Journal Articles

Analytical model for ionic current dominated corrosion of nanoelectrodes in metalized films: Frequency and electric stress

Hua Li, Tian Qiu, Zheng Li, Fuchang Lin, Qin Zhang

J. Chem. Phys. 158, 114702 (2023)

https://doi.org/10.1063/5.0141070

Published: March 2023

View article titled, Analytical model for ionic current dominated corrosion of nanoelectrodes in metalized films: Frequency and electric stress

Journal Articles

State of charge estimation for lithium-ion battery based on whale optimization algorithm and multi-kernel relevance vector machine

Kui Chen, Shuyuan Zhou, Kai Liu, Guoqiang Gao, Guangning Wu

J. Chem. Phys. 158, 104110 (2023)

https://doi.org/10.1063/5.0139376

Published: March 2023

View article titled, State of charge estimation for lithium-ion battery based on whale optimization algorithm and multi-kernel relevance vector machine

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Topics

Isotropic ↔ anisotropic surface geometry transitions induced by adsorbed surfactants at water/vapor interfaces

Predicting kinetics of spin-dependent reactions in an external magnetic field with nonadiabatic statistical theory

Effect of current collector on the coupled electro-chemo-mechanical performance of graphite electrodes in LiBs

Modeling phase separation in solids beyond the classical nucleation theory: Application to FeCr

Mesomorphology of clathrate hydrates from molecular ordering

Statistical theory of fluids confined in quenched disordered porous media

Polarization of disk electrodes in high-conductivity electrolyte solutions

Development of a dynamic gas lock inhibited model for EUV-induced carbon deposition

Coarsening dynamics of ternary polymer solutions with mobility and viscosity contrasts

Quantum and anharmonic effects in non-adiabatic transition state theory

Multicomponent solutions: Combining rules for multisolute osmotic virial coefficients

Electron density-based protocol to recover the interacting quantum atoms components of intermolecular binding energy

Analytical refractory period distribution for a class of time-variant biochemical systems with second-order reactions

An extreme value statistics model of heterogeneous ice nucleation for quantifying the stability of supercooled aqueous systems

Nonsolvent-induced phase separation inside liquid droplets

Hidden singularities in spontaneously polarized molecular solids

Model selection in atomistic simulation

Model reduction for the Chemical Master Equation: An information-theoretic approach

Analytical model for ionic current dominated corrosion of nanoelectrodes in metalized films: Frequency and electric stress

State of charge estimation for lithium-ion battery based on whale optimization algorithm and multi-kernel relevance vector machine

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