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Publications by Mayank Dodia
Structure and Dynamics of Water at the Water−Air Interface Using First Principles Molecular Dynamics Simulations II: Non-Local vs Empirical Van Der Waals Corrections
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
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Heterogeneity of Water Structure and Dynamics at the Protein-Water Interface
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Dynamics of Amphiphilic Diblock Copolymers at the Air–water Interface
Journal of Colloid and Interface Science
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On the Absolute Thermodynamics of Water From Computer Simulations: A Comparison of First-Principles Molecular Dynamics, Reactive and Empirical Force Fields
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Charge Separation and Exciton Dynamics at Polymer/ZnO Interface From First-Principles Simulations
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Intrinsic Structure and Dynamics of the Water/Nitrobenzene Interface
Journal of Physical Chemistry C
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Molecular Fragment Dynamics Study on the Water–air Interface Behavior of Non-Ionic Polyoxyethylene Alkyl Ether Surfactants
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First-Principles Molecular Dynamics Simulation of the Ca2UO2(CO3)3 Complex in Water
Dalton Transactions
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Structure and Gas Transport at the Polymer-Zeolite Interface: Insights From Molecular Dynamics Simulations
ACS Applied Materials & Interfaces
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Effect of Organic Surfactant on Femtosecond Solvation Dynamics at the Air−Water Interface
Journal of Physical Chemistry B
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