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Journal Articles

A geometry-enhanced graph neural network for learning the smoothness of glassy dynamics from static structure

Xiao Jiang, Zean Tian, Kenli Li, Wangyu Hu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 144504 (2023)
https://doi.org/10.1063/5.0162463
Published: October 2023
View article titled, A geometry-enhanced graph neural network for learning the smoothness of glassy dynamics from static structure
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Includes: Supplementary data
Journal Articles

Active and passive microrheology with large tracers in hard colloids

F. Orts, M. Maier, M. Fuchs, G. Ortega, E. M. Garzón, A. M. Puertas
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 144901 (2023)
https://doi.org/10.1063/5.0169864
Published: October 2023
View article titled, Active and passive microrheology with large tracers in hard colloids
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Journal Articles

Comparative study of the dynamics of colloidal glass and gel

Fukai Zhang, Haitao Yu, Huaguang Wang, Zexin Zhang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 174902 (2023)
https://doi.org/10.1063/5.0146692
Published: May 2023
View article titled, Comparative study of the dynamics of colloidal glass and gel
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Includes: Supplementary data
Journal Articles

Uncovering the bridging role of slow atoms in unusual caged dynamics and β-relaxation of binary metallic glasses

Yuxuan Chen, Shidong Feng, Xiaoqian Lu, Shaopeng Pan, Chaoqun Xia, Li-Min Wang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 134511 (2023)
https://doi.org/10.1063/5.0146108
Published: April 2023
View article titled, Uncovering the bridging role of slow atoms in unusual caged dynamics and <em>β</em>-relaxation of binary metallic glasses
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Journal Articles

Multiple evidences of dynamic heterogeneity in hydrophobic deep eutectic solvents

Akshay Malik, Hemant K. Kashyap
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 044502 (2021)
https://doi.org/10.1063/5.0054699
Published: July 2021
View article titled, Multiple evidences of dynamic heterogeneity in hydrophobic deep eutectic solvents
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Journal Articles

Effect of ligand binding on riboswitch folding: Theory and simulations

Shivangi Sharma, Vishal Singh, Parbati Biswas
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 185101 (2021)
https://doi.org/10.1063/5.0047684
Published: May 2021
View article titled, Effect of ligand binding on riboswitch folding: Theory and simulations
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Includes: Supplementary data
Journal Articles

Structural relaxation in quantum supercooled liquids: A mode-coupling approach

Ankita Das, Eran Rabani, Kunimasa Miyazaki, Upendra Harbola
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 014502 (2021)
https://doi.org/10.1063/5.0032085
Published: January 2021
View article titled, Structural relaxation in quantum supercooled liquids: A mode-coupling approach
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Journal Articles

Generalized mode-coupling theory of the glass transition. I. Numerical results for Percus–Yevick hard spheres

Chengjie Luo, Liesbeth M. C. Janssen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 214507 (2020)
https://doi.org/10.1063/5.0026969
Published: December 2020
View article titled, Generalized mode-coupling theory of the glass transition. I. Numerical results for Percus–Yevick hard spheres
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Journal Articles

Fragmentation dynamics of Ar4He1000 upon electron impact ionization: Competition between ion ejection and trapping

Nadine Halberstadt, David A. Bonhommeau
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 234305 (2020)
https://doi.org/10.1063/5.0009363
Published: June 2020
View article titled, Fragmentation dynamics of Ar<sub>4</sub>He<sub>1000</sub> upon electron impact ionization: Competition between ion ejection and trapping
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Includes: Supplementary data
Journal Articles

Solvation structure and dynamics of the dimethylammonium cation diluted in liquid water: A molecular dynamics approach

Ioannis Skarmoutsos, Elvira Guardia
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 234501 (2020)
https://doi.org/10.1063/5.0004204
Published: June 2020
View article titled, Solvation structure and dynamics of the dimethylammonium cation diluted in liquid water: A molecular dynamics approach
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Journal Articles

On the equivalence of vapor-deposited and melt-quenched glasses

Zhe Wang, Tao Du, N. M. Anoop Krishnan, Morten M. Smedskjaer, Mathieu Bauchy
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 164504 (2020)
https://doi.org/10.1063/5.0006590
Published: April 2020
View article titled, On the equivalence of vapor-deposited and melt-quenched glasses
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Includes: Supplementary data
Journal Articles

Unveiling diffusive states from center-of-mass trajectories in glassy dynamics

Yuto Hachiya, Takashi Uneyama, Toshihiro Kaneko, Takuma Akimoto
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 034502 (2019)
https://doi.org/10.1063/1.5100640
Published: July 2019
View article titled, Unveiling diffusive states from center-of-mass trajectories in glassy dynamics
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Journal Articles

Dynamical aspects of supercooled TIP3P–water in the grooves of DNA

M. A. F. dos Santos, M. A. Habitzreuter, M. H. Schwade, R. Borrasca, M. Antonacci, G. K. Gonzatti, P. A. Netz, M. C. Barbosa
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 235101 (2019)
https://doi.org/10.1063/1.5100601
Published: June 2019
View article titled, Dynamical aspects of supercooled TIP3P–water in the grooves of DNA
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Journal Articles

Diffusion dynamics of supercooled water modeled with the cage-jump motion and hydrogen-bond rearrangement

Takuma Kikutsuji, Kang Kim, Nobuyuki Matubayasi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 204502 (2019)
https://doi.org/10.1063/1.5095978
Published: May 2019
View article titled, Diffusion dynamics of supercooled water modeled with the cage-jump motion and hydrogen-bond rearrangement
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Journal Articles

Soft-wall induced structure and dynamics of partially confined supercritical fluids

Kanka Ghosh, C. V. Krishnamurthy
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 111102 (2019)
https://doi.org/10.1063/1.5092121
Published: March 2019
View article titled, Soft-wall induced structure and dynamics of partially confined supercritical fluids
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Includes: Supplementary data
Journal Articles

Time correlation functions of simple liquids: A new insight on the underlying dynamical processes

Giovanni Garberoglio, Renzo Vallauri, Ubaldo Bafile
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 174501 (2018)
https://doi.org/10.1063/1.5025120
Published: May 2018
View article titled, Time correlation functions of simple liquids: A new insight on the underlying dynamical processes
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Journal Articles

Communication: Fast dynamics perspective on the breakdown of the Stokes-Einstein law in fragile glassformers

F. Puosi, A. Pasturel, N. Jakse, D. Leporini
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 131102 (2018)
https://doi.org/10.1063/1.5025614
Published: April 2018
View article titled, Communication: Fast dynamics perspective on the breakdown of the Stokes-Einstein law in fragile glassformers
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Journal Articles

Point-to-set dynamic length scale in binary Lennard-Jones glass-formers

Baicheng Mei, Zhenhua Wang, Yuyuan Lu, Hongfei Li, Lijia An
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 114507 (2017)
https://doi.org/10.1063/1.4986597
Published: September 2017
View article titled, Point-to-set dynamic length scale in binary Lennard-Jones glass-formers
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Journal Articles

Diffusion of small particles in polymer films

Piotr Polanowski, Andrzej Sikorski
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 014902 (2017)
https://doi.org/10.1063/1.4990414
Published: July 2017
View article titled, Diffusion of small particles in polymer films
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Journal Articles

Nanostructured solvation in mixtures of protic ionic liquids and long-chained alcohols

Hadrián Montes-Campos, José M. Otero-Mato, Trinidad Méndez-Morales, Elena López-Lago, Olga Russina, Oscar Cabeza, Luis J. Gallego, Luis M. Varela
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 124503 (2017)
https://doi.org/10.1063/1.4978943
Published: March 2017
View article titled, Nanostructured solvation in mixtures of protic ionic liquids and long-chained alcohols
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