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Effects of interfaces on structure and dynamics of water droplets on a graphene surface: A molecular dynamics study

The Journal of chemical physics, 2021-04, Vol.154 (16), p.164704-164704

2021

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Wetting Transition of the Ethanol–Water Droplet on Smooth and Textured Surfaces

Journal of physical chemistry. C, 2014-02, Vol.118 (8), p.4113-4121

2014

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Insight into the Structure and Dynamics of Ethanol–Water Binary Mixture Confined in Nanochannel by Mica and Graphene

The journal of physical chemistry. B, 2022-09, Vol.126 (38), p.7385-7392

Metya, Atanu K.

2022

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Electric-field-induced structure and dynamics of an ethanol-water mixture in hydrophobic-hydrophilic nanochannels

Physical chemistry chemical physics : PCCP, 2024-10

2024

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Is Ice Nucleation by Organic Crystals Nonclassical? An Assessment of the Monolayer Hypothesis of Ice Nucleation

Journal of the American Chemical Society, 2021-03, Vol.143 (12), p.4607-4624

2021

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Electrolyte under Molybdenum Disulfide Surfaces: Molecular Insights on Structure and Dynamics of Water

Langmuir, 2024-02, Vol.40 (7), p.3540-3548

2024

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Rational design for novel heterocyclic based Donepezil analogs for Alzheimer's disease: an in silico approach

Journal of biomolecular structure & dynamics, 2024-01, p.1-12

2024

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Computationally efficient approach for the identification of ice-binding surfaces and how they bind ice

The Journal of chemical physics, 2020-11, Vol.153 (17), p.174106-174106

2020

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Estimation of solid-liquid coexistence curve for coarse-grained water models through reliable free energy method

Fluid phase equilibria, 2024-02, Vol.577, p.113985, Article 113985

2024

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Nucleation of Aqueous Salt Solutions on Solid Surfaces

Journal of physical chemistry. C, 2018-04, Vol.122 (15), p.8277-8287

2018

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Ice nucleation on nanotextured surfaces: the influence of surface fraction, pillar height and wetting states

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (38), p.26796-26806

2016

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Ice Nucleation on a Graphite Surface in the Presence of Nanoparticles

Journal of physical chemistry. C, 2018-08, Vol.122 (33), p.19056-19066

2018

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Ice adhesion mechanism on lubricant-impregnated surfaces using molecular dynamics simulations

Molecular simulation, 2019-03, Vol.45 (4-5), p.394-402

2019

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Study of ice nucleation on silver iodide surface with defects

Molecular physics, 2019-12, Vol.117 (23-24), p.3651-3663

2019

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Surface effect on the electromelting behavior of nanoconfined water

Physical chemistry chemical physics : PCCP, 2015-09, Vol.17 (35), p.23147-23154

2015

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Molecular dynamics study of vapor–liquid equilibria and transport properties of sodium and lithium based on EAM potentials

Fluid phase equilibria, 2012-01, Vol.313, p.16-24

2012

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Influence of plasmonic metals (Ag, Cu) on overall CO2 photoreduction activity of β-Ga2O3

Applied surface science, 2022-04, Vol.580, p.152315, Article 152315

2022

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Investigating the multifunctionality of fluorinated donepezil derivatives for Alzheimer’s disease

Journal of molecular liquids, 2024-09, Vol.409, p.125500, Article 125500

2024

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Unveiling the potential of acetic acid-based hydrophobic natural deep eutectic solvents for phytochemical extraction

Journal of molecular liquids, 2024-08, Vol.408, p.125314, Article 125314

2024

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Ice nucleation on nanotextured surfaces: the influence of surface fraction, pillar height and wetting statesElectronic supplementary information (ESI) available: Details of the bond-orientational order parameters, the CHILL algorithm, the MFPT method, the phantom-wall algorithm, and additional results of this work. See DOI: 10.1039/c6cp04382h

2016-09

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Surface effect on the electromelting behavior of nanoconfined waterElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp03778f

2015-08

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A Study of Transport Properties and Stress Analysis Using Atomistic and Macro Simulations for Lithium-Ion Batteries

Journal of the Electrochemical Society, 2014-01, Vol.161 (9), p.A1453-A1460

2014

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Effects of interfaces on structure and dynamics of water droplets on a graphene surface: A molecular dynamics study

Wetting Transition of the Ethanol–Water Droplet on Smooth and Textured Surfaces

Insight into the Structure and Dynamics of Ethanol–Water Binary Mixture Confined in Nanochannel by Mica and Graphene

Electric-field-induced structure and dynamics of an ethanol-water mixture in hydrophobic-hydrophilic nanochannels

Is Ice Nucleation by Organic Crystals Nonclassical? An Assessment of the Monolayer Hypothesis of Ice Nucleation

Electrolyte under Molybdenum Disulfide Surfaces: Molecular Insights on Structure and Dynamics of Water

Rational design for novel heterocyclic based Donepezil analogs for Alzheimer's disease: an in silico approach

Computationally efficient approach for the identification of ice-binding surfaces and how they bind ice

Estimation of solid-liquid coexistence curve for coarse-grained water models through reliable free energy method

Nucleation of Aqueous Salt Solutions on Solid Surfaces

Ice nucleation on nanotextured surfaces: the influence of surface fraction, pillar height and wetting states

Ice Nucleation on a Graphite Surface in the Presence of Nanoparticles

Ice adhesion mechanism on lubricant-impregnated surfaces using molecular dynamics simulations

Study of ice nucleation on silver iodide surface with defects

Surface effect on the electromelting behavior of nanoconfined water

Molecular dynamics study of vapor–liquid equilibria and transport properties of sodium and lithium based on EAM potentials

Influence of plasmonic metals (Ag, Cu) on overall CO2 photoreduction activity of β-Ga2O3

Investigating the multifunctionality of fluorinated donepezil derivatives for Alzheimer’s disease

Unveiling the potential of acetic acid-based hydrophobic natural deep eutectic solvents for phytochemical extraction

Surface effect on the electromelting behavior of nanoconfined waterElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp03778f

A Study of Transport Properties and Stress Analysis Using Atomistic and Macro Simulations for Lithium-Ion Batteries

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