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Journal Articles

Ultradense sphere packings derived from disordered stealthy hyperuniform ground states

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Jaeuk Kim, Salvatore Torquato
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 024902 (2025)
https://doi.org/10.1063/5.0276041
Published: July 2025
View articletitled, Ultradense sphere packings derived from disordered stealthy hyperuniform ground states
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Journal Articles

The theory of Barlow packings: Basic properties and cohesive energies from exact lattice summations within the sticky hard-sphere model

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Shaun Cooper, Andres Robles-Navarro, Odile R. Smits, Peter Schwerdtfeger
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 014105 (2025)
https://doi.org/10.1063/5.0241375
Published: January 2025
View articletitled, The theory of Barlow packings: Basic properties and cohesive energies from exact lattice summations within the sticky hard-sphere model
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Journal Articles

Microstructural characterization of DEM-based random packings of monodisperse and polydisperse non-convex particles

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Zhihong Ma, Mingkun Jia, Jiaping Liu, Wenxiang Xu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 184104 (2024)
https://doi.org/10.1063/5.0233933
Published: November 2024
View articletitled, Microstructural characterization of DEM-based random packings of monodisperse and polydisperse non-convex particles
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Journal Articles

Hole statistics of equilibrium 2D and 3D hard-sphere crystals

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Haina Wang, David A. Huse, Salvatore Torquato
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 074106 (2024)
https://doi.org/10.1063/5.0228208
Published: August 2024
View articletitled, Hole statistics of equilibrium 2D and 3D hard-sphere crystals
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Journal Articles

Random close packing of semi-flexible polymers in two dimensions: Emergence of local and global order

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Daniel Martínez-Fernández, Clara Pedrosa, Miguel Herranz, Katerina Foteinopoulou, Nikos Ch. Karayiannis, Manuel Laso
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 034902 (2024)
https://doi.org/10.1063/5.0216436
Published: July 2024
View articletitled, Random close packing of semi-flexible polymers in two dimensions: Emergence of local and global order
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Journal Articles

Optimal three-dimensional particle shapes for maximally dense saturated packing

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Yutong Qian, Shuixiang Li
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 014505 (2024)
https://doi.org/10.1063/5.0217809
Published: July 2024
View articletitled, Optimal three-dimensional particle shapes for maximally dense saturated packing
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Journal Articles

Scaling regimes and fluctuations of observables in computer glasses approaching the unjamming transition

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Julia A. Giannini, Edan Lerner, Francesco Zamponi, M. Lisa Manning
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 034502 (2024)
https://doi.org/10.1063/5.0176713
Published: January 2024
View articletitled, Scaling regimes and fluctuations of observables in computer glasses approaching the unjamming transition
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Journal Articles

Dense random packing of disks with a power-law size distribution in thermodynamic limit

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Alexander Yu. Cherny, Eugen M. Anitas, Artem A. Vladimirov, Vladimir A. Osipov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 024107 (2024)
https://doi.org/10.1063/5.0177530
Published: January 2024
View articletitled, Dense random packing of disks with a power-law size distribution in thermodynamic limit
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Journal Articles

Densest packing of flexible polymers in 2D films

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Clara Pedrosa, Daniel Martínez-Fernández, Miguel Herranz, Katerina Foteinopoulou, Nikos Ch. Karayiannis, Manuel Laso
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 164502 (2023)
https://doi.org/10.1063/5.0137115
Published: April 2023
View articletitled, Densest packing of flexible polymers in 2D films
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Journal Articles

Tuning nonequilibrium phase transitions with inertia

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Ahmad K. Omar, Katherine Klymko, Trevor GrandPre, Phillip L. Geissler, John F. Brady
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 074904 (2023)
https://doi.org/10.1063/5.0138256
Published: February 2023
View articletitled, Tuning nonequilibrium phase transitions with inertia
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Includes: Supplementary data
Journal Articles

Understanding dynamics in coarse-grained models. II. Coarse-grained diffusion modeled using hard sphere theory

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Jaehyeok Jin, Kenneth S. Schweizer, Gregory A. Voth
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 034104 (2023)
https://doi.org/10.1063/5.0116300
Published: January 2023
View articletitled, Understanding dynamics in coarse-grained models. II. Coarse-grained diffusion modeled using hard sphere theory
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Journal Articles

Descriptor-free unsupervised learning method for local structure identification in particle packings

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Yutao Wang, Wei Deng, Zhaohui Huang, Shuixiang Li
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 154504 (2022)
https://doi.org/10.1063/5.0088056
Published: April 2022
View articletitled, Descriptor-free unsupervised learning method for local structure identification in particle packings
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Includes: Supplementary data
Journal Articles

What should the density of amorphous solids be?

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Xiang-Yuan Cui, Simon P. Ringer, Gang Wang, Z. H. Stachurski
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 194506 (2019)
https://doi.org/10.1063/1.5113733
Published: November 2019
View articletitled, What should the density of amorphous solids be?
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Journal Articles

Thermodynamics of mixtures of patchy and spherical colloids of different sizes: A multi-body association theory with complete reference fluid information

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Artee Bansal, Arjun Valiya Parambathu, D. Asthagiri, Kenneth R. Cox, Walter G. Chapman
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 164904 (2017)
https://doi.org/10.1063/1.4981913
Published: April 2017
View articletitled, Thermodynamics of mixtures of patchy and spherical colloids of different sizes: A multi-body association theory with complete reference fluid information
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Journal Articles

Defining and quantifying frustration in the energy landscape: Applications to atomic and molecular clusters, biomolecules, jammed and glassy systems

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V. K. de Souza, J. D. Stevenson, S. P. Niblett, J. D. Farrell, D. J. Wales
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 124103 (2017)
https://doi.org/10.1063/1.4977794
Published: March 2017
View articletitled, Defining and quantifying frustration in the energy landscape: Applications to atomic and molecular clusters, biomolecules, jammed and glassy systems
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Journal Articles

Surface fine structure influence on saturated random packings

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Michał Cieśla, Jakub Barbasz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 054706 (2017)
https://doi.org/10.1063/1.4975100
Published: February 2017
View articletitled, Surface fine structure influence on saturated random packings
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Journal Articles

Extremely asymmetric phase diagram of homopolymer-monotethered nanoparticles: Competition between chain conformational entropy and particle steric interaction

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Tiancai Zhang, Chao Fu, Yingzi Yang, Feng Qiu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 054902 (2017)
https://doi.org/10.1063/1.4975023
Published: February 2017
View articletitled, Extremely asymmetric phase diagram of homopolymer-monotethered nanoparticles: Competition between chain conformational entropy and particle steric interaction
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Journal Articles

The double-layer structure of overscreened surfaces by smeared-out ions

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Derek Frydel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 184703 (2016)
https://doi.org/10.1063/1.4967257
Published: November 2016
View articletitled, The double-layer structure of overscreened surfaces by smeared-out ions
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Journal Articles

Glassy dynamics of model colloidal polymers: The effect of “monomer” size

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Jian Li, Bo-kai Zhang, Hui-shu Li, Kang Chen, Wen-de Tian, Pei-qing Tong
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 204509 (2016)
https://doi.org/10.1063/1.4952605
Published: May 2016
View articletitled, Glassy dynamics of model colloidal polymers: The effect of “monomer” size
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Journal Articles

How to predict the ideal glass transition density in polydisperse hard-sphere packings

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Vasili Baranau, Ulrich Tallarek
Journal: The Journal of Chemical Physics
J. Chem. Phys. 143, 044501 (2015)
https://doi.org/10.1063/1.4927077
Published: July 2015
View articletitled, How to predict the ideal glass transition density in polydisperse hard-sphere packings
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