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Athanassios Z. Panagiotopoulos
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Journal Articles

Sequence dependence of critical properties for two-letter chains

Editor’s Pick
Athanassios Z. Panagiotopoulos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 234902 (2024)
https://doi.org/10.1063/5.0215700
Published: June 2024
View article titled, Sequence dependence of critical properties for two-letter chains
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Journal Articles

Interfacial exchange dynamics of biomolecular condensates are highly sensitive to client interactions

Ushnish Rana, Ned S. Wingreen, Clifford P. Brangwynne, Athanassios Z. Panagiotopoulos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 145102 (2024)
https://doi.org/10.1063/5.0188461
Published: April 2024
View article titled, Interfacial exchange dynamics of biomolecular condensates are highly sensitive to client interactions
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Includes: Supplementary data
Journal Articles

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

FeaturedScilight
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

Phase separation and aggregation in multiblock chains

Editor’s Pick
Athanassios Z. Panagiotopoulos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 154901 (2023)
https://doi.org/10.1063/5.0146673
Published: April 2023
View article titled, Phase separation and aggregation in multiblock chains
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Journal Articles

Liquid–liquid criticality in the WAIL water model

Jack Weis, Francesco Sciortino, Athanassios Z. Panagiotopoulos, Pablo G. Debenedetti
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 024502 (2022)
https://doi.org/10.1063/5.0099520
Published: July 2022
View article titled, Liquid–liquid criticality in the WAIL water model
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Journal Articles

A deep potential model with long-range electrostatic interactions

Editor’s Pick
Linfeng Zhang, Han Wang, Maria Carolina Muniz, Athanassios Z. Panagiotopoulos, Roberto Car, Weinan E
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 124107 (2022)
https://doi.org/10.1063/5.0083669
Published: March 2022
View article titled, A deep potential model with long-range electrostatic interactions
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Journal Articles

Transferability of data-driven, many-body models for CO2 simulations in the vapor and liquid phases

Shuwen Yue, Marc Riera, Raja Ghosh, Athanassios Z. Panagiotopoulos, Francesco Paesani
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 104503 (2022)
https://doi.org/10.1063/5.0080061
Published: March 2022
View article titled, Transferability of data-driven, many-body models for CO<sub>2</sub> simulations in the vapor and liquid phases
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Includes: Supplementary data
Journal Articles

Activity coefficients of aqueous electrolytes from implicit-water molecular dynamics simulations

Sina Hassanjani Saravi, Athanassios Z. Panagiotopoulos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 184501 (2021)
https://doi.org/10.1063/5.0064963
Published: November 2021
View article titled, Activity coefficients of aqueous electrolytes from implicit-water molecular dynamics simulations
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Includes: Supplementary data
Journal Articles

Phase separation vs aggregation behavior for model disordered proteins

Ushnish Rana, Clifford P. Brangwynne, Athanassios Z. Panagiotopoulos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 125101 (2021)
https://doi.org/10.1063/5.0060046
Published: September 2021
View article titled, Phase separation vs aggregation behavior for model disordered proteins
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Includes: Supplementary data
Journal Articles

Vapor–liquid equilibrium of water with the MB-pol many-body potential

Scilight
Maria Carolina Muniz, Thomas E. Gartner, III, Marc Riera, Christopher Knight, Shuwen Yue, Francesco Paesani, Athanassios Z. Panagiotopoulos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 211103 (2021)
https://doi.org/10.1063/5.0050068
Published: June 2021
View article titled, Vapor–liquid equilibrium of water with the MB-pol many-body potential
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Includes: Supplementary data
Journal Articles

Erratum: “Note: Smooth torsional potentials for degenerate dihedral angles” [J. Chem. Phys. 146, 226101 (2017)]

Michael P. Howard, Antonia Statt, Athanassios Z. Panagiotopoulos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 099901 (2021)
https://doi.org/10.1063/5.0046594
Published: March 2021
View article titled, Erratum: “Note: Smooth torsional potentials for degenerate dihedral angles” [J. Chem. Phys. 146, 226101 (2017)]
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Journal Articles

When do short-range atomistic machine-learning models fall short?

Shuwen Yue, Maria Carolina Muniz, Marcos F. Calegari Andrade, Linfeng Zhang, Roberto Car, Athanassios Z. Panagiotopoulos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 034111 (2021)
https://doi.org/10.1063/5.0031215
Published: January 2021
View article titled, When do short-range atomistic machine-learning models fall short?
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Includes: Supplementary data
Journal Articles

Molecular simulation of liquid–vapor coexistence for NaCl: Full-charge vs scaled-charge interaction models

Dina Kussainova, Anirban Mondal, Jeffrey M. Young, Shuwen Yue, Athanassios Z. Panagiotopoulos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 024501 (2020)
https://doi.org/10.1063/5.0012065
Published: July 2020
View article titled, Molecular simulation of liquid–vapor coexistence for NaCl: Full-charge vs scaled-charge interaction models
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Includes: Supplementary data
Journal Articles

Simulations of activities, solubilities, transport properties, and nucleation rates for aqueous electrolyte solutions

FeaturedScilight
Athanassios Z. Panagiotopoulos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 010903 (2020)
https://doi.org/10.1063/5.0012102
Published: July 2020
View article titled, Simulations of activities, solubilities, transport properties, and nucleation rates for aqueous electrolyte solutions
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Journal Articles

Model for disordered proteins with strongly sequence-dependent liquid phase behavior

Antonia Statt, Helena Casademunt, Clifford P. Brangwynne, Athanassios Z. Panagiotopoulos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 075101 (2020)
https://doi.org/10.1063/1.5141095
Published: February 2020
View article titled, Model for disordered proteins with strongly sequence-dependent liquid phase behavior
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Includes: Supplementary data
Journal Articles

Thermodynamic analysis of the stability of planar interfaces between coexisting phases and its application to supercooled water

Scilight
Rakesh S. Singh, Jeremy C. Palmer, Athanassios Z. Panagiotopoulos, Pablo G. Debenedetti
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 224503 (2019)
https://doi.org/10.1063/1.5097591
Published: June 2019
View article titled, Thermodynamic analysis of the stability of planar interfaces between coexisting phases and its application to supercooled water
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Includes: Supplementary data
Journal Articles

Nucleation in aqueous NaCl solutions shifts from 1-step to 2-step mechanism on crossing the spinodal

Hao Jiang, Pablo G. Debenedetti, Athanassios Z. Panagiotopoulos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 124502 (2019)
https://doi.org/10.1063/1.5084248
Published: March 2019
View article titled, Nucleation in aqueous NaCl solutions shifts from 1-step to 2-step mechanism on crossing the spinodal
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Includes: Supplementary data
Journal Articles

Directed assembly of photonic crystals through simple substrate patterning

Wesley F. Reinhart, Athanassios Z. Panagiotopoulos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 014503 (2019)
https://doi.org/10.1063/1.5070153
Published: January 2019
View article titled, Directed assembly of photonic crystals through simple substrate patterning
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Journal Articles

Erratum: “Evaporation-induced assembly of colloidal crystals” [J. Chem. Phys. 149, 094901 (2018)]

Michael P. Howard, Wesley F. Reinhart, Tanmoy Sanyal, M. Scott Shell, Arash Nikoubashman, Athanassios Z. Panagiotopoulos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 209902 (2018)
https://doi.org/10.1063/1.5080924
Published: November 2018
View article titled, Erratum: “Evaporation-induced assembly of colloidal crystals” [J. Chem. Phys. 149, 094901 (2018)]
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Journal Articles

Communication: Nucleation rates of supersaturated aqueous NaCl using a polarizable force field

Hao Jiang, Pablo G. Debenedetti, Athanassios Z. Panagiotopoulos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 141102 (2018)
https://doi.org/10.1063/1.5053652
Published: October 2018
View article titled, Communication: Nucleation rates of supersaturated aqueous NaCl using a polarizable force field
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Includes: Supplementary data