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List of works by Mayank Dodia

Accessing the Accuracy of Density Functional Theory through Structure and Dynamics of the Water-Air Interface

scientific article published on 13 August 2019

Structure and Dynamics of Water at the Water-Air Interface Using First-Principles Molecular Dynamics Simulations within Generalized Gradient Approximation

scientific article published on 06 December 2018

Structure and Dynamics of Water at the Water-Air Interface Using First-Principles Molecular Dynamics Simulations. II. NonLocal vs Empirical van der Waals Corrections

scientific article published on 30 May 2019

Vibrational mode frequency correction of liquid water in density functional theory molecular dynamics simulations with van der Waals correction

scientific article published on 29 May 2020

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