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N. R. Aluru
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Journal Articles

Thermostatting nonequilibrium systems: A thermal energy constraint for systems under directive perturbations

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J. P. Martínez Cordeiro, N. R. Aluru
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 124112 (2025)
https://doi.org/10.1063/5.0257970
Published: March 2025
View articletitled, Thermostatting nonequilibrium systems: A thermal energy constraint for systems under directive perturbations
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Journal Articles

Mechanically activated and deactivated ion transport across nanopores with heterogeneous surface charge distributions

Open Access
Arghyadeep Paul, N. R. Aluru
Journal: Journal of Applied Physics
J. Appl. Phys. 136, 124701 (2024)
https://doi.org/10.1063/5.0206836
Published: September 2024
View articletitled, Mechanically activated and deactivated ion transport across nanopores with heterogeneous surface charge distributions
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Journal Articles

Study of the adsorption sites of high entropy alloys for CO2 reduction using graph convolutional network

FeaturedOpen Access
H. Oliaei, N. R. Aluru
Journal: APL Machine Learning
APL Mach. Learn. 2, 026103 (2024)
https://doi.org/10.1063/5.0198043
Published: April 2024
View articletitled, Study of the adsorption sites of high entropy alloys for CO2 reduction using graph convolutional network
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Includes: Supplementary data
Journal Articles

From ab initio to continuum: Linking multiple scales using deep-learned forces

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Haiyi Wu, Chenxing Liang, Jinu Jeong, N. R. Aluru
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 184108 (2023)
https://doi.org/10.1063/5.0166927
Published: November 2023
View articletitled, From ab initio to continuum: Linking multiple scales using deep-learned forces
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Includes: Supplementary data
Journal Articles

Activation of atomic transport via vibrational coupling-induced force fluctuations

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Yechan Noh, N. R. Aluru
Journal: Applied Physics Letters
Appl. Phys. Lett. 123, 091601 (2023)
https://doi.org/10.1063/5.0160780
Published: August 2023
View articletitled, Activation of atomic transport via vibrational coupling-induced force fluctuations
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Journal Articles

Quantum water desalination: Water generation through separate pathways for protons and hydroxide ions in membranes

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Archith Rayabharam, N. R. Aluru
Journal: Journal of Applied Physics
J. Appl. Phys. 132, 194302 (2022)
https://doi.org/10.1063/5.0122324
Published: November 2022
View articletitled, Quantum water desalination: Water generation through separate pathways for protons and hydroxide ions in membranes
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Journal Articles

Deep learning-based quasi-continuum theory for structure of confined fluids

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Haiyi Wu, N. R. Aluru
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 084121 (2022)
https://doi.org/10.1063/5.0096481
Published: August 2022
View articletitled, Deep learning-based quasi-continuum theory for structure of confined fluids
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Journal Articles

Nonlocal hydrodynamic model for gravity-driven transport in nanochannels

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Arghyadeep Paul, N. R. Aluru
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 204112 (2022)
https://doi.org/10.1063/5.0089447
Published: May 2022
View articletitled, Nonlocal hydrodynamic model for gravity-driven transport in nanochannels
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Journal Articles

Interstitial proton transport through defective MXenes

Free
Archith Rayabharam, N. R. Aluru
Journal: Applied Physics Letters
Appl. Phys. Lett. 120, 211601 (2022)
https://doi.org/10.1063/5.0098709
Published: May 2022
View articletitled, Interstitial proton transport through defective MXenes
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Includes: Supplementary data
Journal Articles

Understanding simple liquids through statistical and deep learning approaches

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A. Moradzadeh, N. R. Aluru
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 204503 (2021)
https://doi.org/10.1063/5.0046226
Published: May 2021
View articletitled, Understanding simple liquids through statistical and deep learning approaches
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Includes: Supplementary data
Journal Articles

A multiscale model for charge inversion in electric double layers

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S. Y. Mashayak, N. R. Aluru
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 214102 (2018)
https://doi.org/10.1063/1.5026975
Published: June 2018
View articletitled, A multiscale model for charge inversion in electric double layers
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Journal Articles

Integral equation theory based direct and accelerated systematic coarse-graining approaches

Free
S. Y. Mashayak, Linling Miao, N. R. Aluru
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 214105 (2018)
https://doi.org/10.1063/1.5020321
Published: June 2018
View articletitled, Integral equation theory based direct and accelerated systematic coarse-graining approaches
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Journal Articles

A multiscale transport model for non-classical nanochannel electroosmosis

FeaturedFree
Ravi Bhadauria, N. R. Aluru
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 214105 (2017)
https://doi.org/10.1063/1.5005127
Published: December 2017
View articletitled, A multiscale transport model for non-classical nanochannel electroosmosis
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Journal Articles

Multiscale modeling of electroosmotic flow: Effects of discrete ion, enhanced viscosity, and surface friction

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Ravi Bhadauria, N. R. Aluru
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 184106 (2017)
https://doi.org/10.1063/1.4982731
Published: May 2017
View articletitled, Multiscale modeling of electroosmotic flow: Effects of discrete ion, enhanced viscosity, and surface friction
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Journal Articles

An EQT-based cDFT approach for thermodynamic properties of confined fluid mixtures

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M. H. Motevaselian, N. R. Aluru
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 154102 (2017)
https://doi.org/10.1063/1.4979896
Published: April 2017
View articletitled, An EQT-based cDFT approach for thermodynamic properties of confined fluid mixtures
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Journal Articles

Langevin-Poisson-EQT: A dipolar solvent based quasi-continuum approach for electric double layers

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S. Y. Mashayak, N. R. Aluru
Journal: The Journal of Chemical Physics
J. Chem. Phys. 146, 044108 (2017)
https://doi.org/10.1063/1.4973934
Published: January 2017
View articletitled, Langevin-Poisson-EQT: A dipolar solvent based quasi-continuum approach for electric double layers
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Journal Articles

Memory effects in nanoparticle dynamics and transport

Free
Tarun Sanghi, Ravi Bhadauria, N. R. Aluru
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 134108 (2016)
https://doi.org/10.1063/1.4964287
Published: October 2016
View articletitled, Memory effects in nanoparticle dynamics and transport
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Journal Articles

A multiscale transport model for Lennard-Jones binary mixtures based on interfacial friction

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Ravi Bhadauria, N. R. Aluru
Journal: The Journal of Chemical Physics
J. Chem. Phys. 145, 074115 (2016)
https://doi.org/10.1063/1.4961226
Published: August 2016
View articletitled, A multiscale transport model for Lennard-Jones binary mixtures based on interfacial friction
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Journal Articles

Mixed role of surface on intrinsic losses in silicon nanostructures

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Subhadeep De, K. Kunal, N. R. Aluru
Journal: Journal of Applied Physics
J. Appl. Phys. 119, 114304 (2016)
https://doi.org/10.1063/1.4943614
Published: March 2016
View articletitled, Mixed role of surface on intrinsic losses in silicon nanostructures
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Journal Articles

Characterizing phonon dynamics using stochastic sampling

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K. Kunal, N. R. Aluru
Journal: Journal of Applied Physics
J. Appl. Phys. 119, 115101 (2016)
https://doi.org/10.1063/1.4943590
Published: March 2016
View articletitled, Characterizing phonon dynamics using stochastic sampling
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