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Journal Articles

Importance of feature construction in machine learning for phase transitions

Inhyuk Jang, Supreet Kaur, Arun Yethiraj
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 094904 (2022)
https://doi.org/10.1063/5.0102187
Published: September 2022
View article titled, Importance of feature construction in machine learning for phase transitions
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Includes: Supplementary data
Journal Articles

Chemically realistic coarse-grained models for polyelectrolyte solutions

Supreet Kaur, Arun Yethiraj
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 094902 (2022)
https://doi.org/10.1063/5.0080388
Published: March 2022
View article titled, Chemically realistic coarse-grained models for polyelectrolyte solutions
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Includes: Supplementary data
Journal Articles

Fast estimation of ion-pairing for screening electrolytes: A cluster can approximate a bulk liquid

Ajay Muralidharan, Arun Yethiraj
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 054801 (2022)
https://doi.org/10.1063/5.0077013
Published: February 2022
View article titled, Fast estimation of ion-pairing for screening electrolytes: A cluster can approximate a bulk liquid
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Includes: Supplementary data
Journal Articles

Effect of diffusion constant on the morphology of dendrite growth in lithium metal batteries

Inhyuk Jang, Arun Yethiraj
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 234705 (2021)
https://doi.org/10.1063/5.0050694
Published: June 2021
View article titled, Effect of diffusion constant on the morphology of dendrite growth in lithium metal batteries
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Journal Articles

Phase behavior of continuous-space systems: A supervised machine learning approach

Hyuntae Jung, Arun Yethiraj
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 064904 (2020)
https://doi.org/10.1063/5.0014194
Published: August 2020
View article titled, Phase behavior of continuous-space systems: A supervised machine learning approach
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Journal Articles

A simulation method for the phase diagram of complex fluid mixtures

Hyuntae Jung, Arun Yethiraj
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 244903 (2018)
https://doi.org/10.1063/1.5033958
Published: June 2018
View article titled, A simulation method for the phase diagram of complex fluid mixtures
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Journal Articles

The effect of crowder charge in a model polymer–colloid system for macromolecular crowding: Polymer structure and dynamics

Swomitra Palit, Lilin He, William A. Hamilton, Arun Yethiraj, Anand Yethiraj
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 114902 (2017)
https://doi.org/10.1063/1.4986353
Published: September 2017
View article titled, The effect of crowder charge in a model polymer–colloid system for macromolecular crowding: Polymer structure and dynamics
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Includes: Supplementary data
Journal Articles

Comment on “Isolating the non-polar contributions to the intermolecular potential for water-alkane interactions” [J. Chem. Phys. 141, 064905 (2014)]

Jesse G. McDaniel, Arun Yethiraj
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 137101 (2016)
https://doi.org/10.1063/1.4944978
Published: April 2016
View article titled, Comment on “Isolating the non-polar contributions to the intermolecular potential for water-alkane interactions” [J. Chem. Phys. 141, 064905 (2014)]
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Journal Articles

Importance of hydrophobic traps for proton diffusion in lyotropic liquid crystals

Jesse G. McDaniel, Arun Yethiraj
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 094705 (2016)
https://doi.org/10.1063/1.4943131
Published: March 2016
View article titled, Importance of hydrophobic traps for proton diffusion in lyotropic liquid crystals
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Includes: Supplementary data
Journal Articles

Dynamics of water confined in lyotropic liquid crystals: Molecular dynamics simulations of the dynamic structure factor

Sriteja Mantha, Arun Yethiraj
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 084504 (2016)
https://doi.org/10.1063/1.4942471
Published: February 2016
View article titled, Dynamics of water confined in lyotropic liquid crystals: Molecular dynamics simulations of the dynamic structure factor
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Journal Articles

Dynamics of two-dimensional and quasi-two-dimensional polymers

Bong June Sung, Arun Yethiraj
Journal: The Journal of Chemical Physics
J. Chem. Phys. 138, 234904 (2013)
https://doi.org/10.1063/1.4810755
Published: June 2013
View article titled, Dynamics of two-dimensional and quasi-two-dimensional polymers
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Journal Articles

Effect of secondary structure on the self-assembly of amphiphilic molecules: A multiscale simulation study

Jagannath Mondal, Arun Yethiraj
Journal: The Journal of Chemical Physics
J. Chem. Phys. 136, 084902 (2012)
https://doi.org/10.1063/1.3689298
Published: February 2012
View article titled, Effect of secondary structure on the self-assembly of amphiphilic molecules: A multiscale simulation study
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Journal Articles

Two- and three-body interactions among nanoparticles in a polymer melt

Amalie L. Frischknecht, Arun Yethiraj
Journal: The Journal of Chemical Physics
J. Chem. Phys. 134, 174901 (2011)
https://doi.org/10.1063/1.3585979
Published: May 2011
View article titled, Two- and three-body interactions among nanoparticles in a polymer melt
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Journal Articles

Solvent effects in polyelectrolyte adsorption: Computer simulations with explicit and implicit solvent

Govardhan Reddy, Arun Yethiraj
Journal: The Journal of Chemical Physics
J. Chem. Phys. 132, 074903 (2010)
https://doi.org/10.1063/1.3319782
Published: February 2010
View article titled, Solvent effects in polyelectrolyte adsorption: Computer simulations with explicit and implicit solvent
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Journal Articles

Sequence dependent self-assembly of β -peptides: Insights from a coarse-grained model

Jagannath Mondal, Bong June Sung, Arun Yethiraj
Journal: The Journal of Chemical Physics
J. Chem. Phys. 132, 065103 (2010)
https://doi.org/10.1063/1.3314309
Published: February 2010
View article titled, Sequence dependent self-assembly of β -peptides: Insights from a coarse-grained model
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Journal Articles

Swelling of polymers in porous media

Bong June Sung, Rakwoo Chang, Arun Yethiraj
Journal: The Journal of Chemical Physics
J. Chem. Phys. 130, 124908 (2009)
https://doi.org/10.1063/1.3100398
Published: March 2009
View article titled, Swelling of polymers in porous media
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Journal Articles

The effect of salt on the melting of ice: A molecular dynamics simulation study

Jun Soo Kim, Arun Yethiraj
Journal: The Journal of Chemical Physics
J. Chem. Phys. 129, 124504 (2008)
https://doi.org/10.1063/1.2979247
Published: September 2008
View article titled, The effect of salt on the melting of ice: A molecular dynamics simulation study
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Journal Articles

Characterization of nanofibers formed by self-assembly of β -peptide oligomers using small angle x-ray scattering

Claire L. Pizzey, William C. Pomerantz, Bong-June Sung, Virany M. Yuwono, Samuel H. Gellman, Jeffery D. Hartgerink, Arun Yethiraj, Nicholas L. Abbott
Journal: The Journal of Chemical Physics
J. Chem. Phys. 129, 095103 (2008)
https://doi.org/10.1063/1.2955745
Published: September 2008
View article titled, Characterization of nanofibers formed by self-assembly of β -peptide oligomers using small angle x-ray scattering
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Includes: Supplementary data
Journal Articles

Phase behavior of semiflexible polymer chains

Venkat Padmanabhan, Sanat K. Kumar, Arun Yethiraj
Journal: The Journal of Chemical Physics
J. Chem. Phys. 128, 124908 (2008)
https://doi.org/10.1063/1.2842135
Published: March 2008
View article titled, Phase behavior of semiflexible polymer chains
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Journal Articles

The effect of matrix structure on the diffusion of fluids in porous media

Bong June Sung, Arun Yethiraj
Journal: The Journal of Chemical Physics
J. Chem. Phys. 128, 054702 (2008)
https://doi.org/10.1063/1.2823735
Published: February 2008
View article titled, The effect of matrix structure on the diffusion of fluids in porous media
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