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Fernando A. Escobedo
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Journal Articles

Effect of non-additive mixing on entropic bonding strength and phase behavior of binary nanocrystal superlattices

Isabela Quintela Matos, Fernando A. Escobedo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 174501 (2024)
https://doi.org/10.1063/5.0232433
Published: November 2024
View article titled, Effect of non-additive mixing on entropic bonding strength and phase behavior of binary nanocrystal superlattices
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Journal Articles

Diffusionless rotator–crystal transitions in colloidal truncated cubes

Abhishek Kumar Sharma, Fernando A. Escobedo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 034509 (2024)
https://doi.org/10.1063/5.0216886
Published: July 2024
View article titled, Diffusionless rotator–crystal transitions in colloidal truncated cubes
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Journal Articles

Effect of particle anisotropy on the thermodynamics and kinetics of ordering transitions in hard faceted particles

Abhishek K. Sharma, Fernando A. Escobedo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 044502 (2023)
https://doi.org/10.1063/5.0135461
Published: January 2023
View article titled, Effect of particle anisotropy on the thermodynamics and kinetics of ordering transitions in hard faceted particles
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Includes: Supplementary data
Journal Articles

Computing free energy barriers for the nucleation of complex network mesophases

Ankita J. Mukhtyar, Fernando A. Escobedo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 034502 (2022)
https://doi.org/10.1063/5.0079396
Published: January 2022
View article titled, Computing free energy barriers for the nucleation of complex network mesophases
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Includes: Supplementary data
Journal Articles

On the calculation of free energies over Hamiltonian and order parameters via perturbation and thermodynamic integration

Fernando A. Escobedo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 114112 (2021)
https://doi.org/10.1063/5.0061541
Published: September 2021
View article titled, On the calculation of free energies over Hamiltonian and order parameters via perturbation and thermodynamic integration
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Journal Articles

Nucleus-size pinning for determination of nucleation free-energy barriers and nucleus geometry

Abhishek K. Sharma, Fernando A. Escobedo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 184104 (2018)
https://doi.org/10.1063/1.5021602
Published: May 2018
View article titled, Nucleus-size pinning for determination of nucleation free-energy barriers and nucleus geometry
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Journal Articles

Optimizing the formation of colloidal compounds with components of different shapes

Editor’s Pick
Fernando A. Escobedo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 214501 (2017)
https://doi.org/10.1063/1.5006047
Published: December 2017
View article titled, Optimizing the formation of colloidal compounds with components of different shapes
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Journal Articles

Optimizing the formation of solid solutions with components of different shapes

Fernando A. Escobedo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 134508 (2017)
https://doi.org/10.1063/1.4979091
Published: April 2017
View article titled, Optimizing the formation of solid solutions with components of different shapes
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Journal Articles

Effect of inter-species selective interactions on the thermodynamics and nucleation free-energy barriers of a tessellating polyhedral compound

Fernando A. Escobedo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 211903 (2016)
https://doi.org/10.1063/1.4953862
Published: June 2016
View article titled, Effect of inter-species selective interactions on the thermodynamics and nucleation free-energy barriers of a tessellating polyhedral compound
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Journal Articles

Simultaneous estimation of free energies and rates using forward flux sampling and mean first passage times

Vikram Thapar, Fernando A. Escobedo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 143, 244113 (2015)
https://doi.org/10.1063/1.4938248
Published: December 2015
View article titled, Simultaneous estimation of free energies and rates using forward flux sampling and mean first passage times
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Journal Articles

Extensions of the interfacial pinning method and application to hard core systems

Vikram Thapar, Fernando A. Escobedo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 141, 124117 (2014)
https://doi.org/10.1063/1.4896054
Published: September 2014
View article titled, Extensions of the interfacial pinning method and application to hard core systems
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Journal Articles

Mapping coexistence lines via free-energy extrapolation: Application to order-disorder phase transitions of hard-core mixtures

Fernando A. Escobedo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 140, 094102 (2014)
https://doi.org/10.1063/1.4866764
Published: March 2014
View article titled, Mapping coexistence lines via free-energy extrapolation: Application to order-disorder phase transitions of hard-core mixtures
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Journal Articles

Self-assembly of binary space-tessellating compounds

Mihir R. Khadilkar, Fernando A. Escobedo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 137, 194907 (2012)
https://doi.org/10.1063/1.4765699
Published: November 2012
View article titled, Self-assembly of binary space-tessellating compounds
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Journal Articles

Thermodynamics and kinetics of bubble nucleation: Simulation methodology

Stacey L. Meadley, Fernando A. Escobedo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 137, 074109 (2012)
https://doi.org/10.1063/1.4745082
Published: August 2012
View article titled, Thermodynamics and kinetics of bubble nucleation: Simulation methodology
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Includes: Supplementary data
Journal Articles

Effect of quenched size polydispersity on the ordering transitions of hard polyhedral particles

Umang Agarwal, Fernando A. Escobedo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 137, 024905 (2012)
https://doi.org/10.1063/1.4734021
Published: July 2012
View article titled, Effect of quenched size polydispersity on the ordering transitions of hard polyhedral particles
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Includes: Supplementary data
Journal Articles

A theoretical and simulation study of the self-assembly of a binary blend of diblock copolymers

Poornima Padmanabhan, Francisco J. Martinez-Veracoechea, Juan C. Araque, Fernando A. Escobedo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 136, 234905 (2012)
https://doi.org/10.1063/1.4729159
Published: June 2012
View article titled, A theoretical and simulation study of the self-assembly of a binary blend of diblock copolymers
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Journal Articles

Structure and transport properties of polymer grafted nanoparticles

Sushmit Goyal, Fernando A. Escobedo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 135, 184902 (2011)
https://doi.org/10.1063/1.3657831
Published: November 2011
View article titled, Structure and transport properties of polymer grafted nanoparticles
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Journal Articles

Mesoscopic structure prediction of nanoparticle assembly and coassembly: Theoretical foundation

Kahyun Hur, Richard G. Hennig, Fernando A. Escobedo, Ulrich Wiesner
Journal: The Journal of Chemical Physics
J. Chem. Phys. 133, 194108 (2010)
https://doi.org/10.1063/1.3502680
Published: November 2010
View article titled, Mesoscopic structure prediction of nanoparticle assembly and coassembly: Theoretical foundation
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Journal Articles

Kinetics and mechanism of the unfolding native-to-loop transition of Trp-cage in explicit solvent via optimized forward flux sampling simulations

Camilo Velez-Vega, Ernesto E. Borrero, Fernando A. Escobedo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 133, 105103 (2010)
https://doi.org/10.1063/1.3474803
Published: September 2010
View article titled, Kinetics and mechanism of the unfolding native-to-loop transition of Trp-cage in explicit solvent via optimized forward flux sampling simulations
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Journal Articles

Kinetics and reaction coordinate for the isomerization of alanine dipeptide by a forward flux sampling protocol

Camilo Velez-Vega, Ernesto E. Borrero, Fernando A. Escobedo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 130, 225101 (2009)
https://doi.org/10.1063/1.3147465
Published: June 2009
View article titled, Kinetics and reaction coordinate for the isomerization of alanine dipeptide by a forward flux sampling protocol
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