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Publications by Amritanshu Palaria
Structures and Energetics of Silicon Nanotubes From Molecular Dynamics and Density Functional Theory
Physical Review B
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Structures and Energetics of Interfaces in Materials – Ab-Initio Local-Density-Functional Theory –
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Simulating SurfactantIron Oxide Interfaces: From Density Functional Theory to Molecular Dynamics
Optical Properties of Silver-Mediated DNA From Molecular Dynamics and Time Dependent Density Functional Theory
International Journal of Molecular Sciences
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Dehydrogenation Free Energy of Co2+(aq) From Density Functional Theory-Based Molecular Dynamics
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Energetics and Electronic Structures of Perylene Confined in Carbon Nanotubes
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Trends in the Structures and Energetics of the Group 14 Metallocenes (C5H5)2M (M = Si−Pb): A Density Functional Theory Study
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Diffusion of the Cu Monomer and Dimer on Ag(111): Molecular Dynamics Simulations and Density Functional Theory Calculations
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Variational Density-Functional Perturbation Theory for Dielectrics and Lattice Dynamics
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The Structure of Metal-Water Interface at the Potential of Zero Charge From Density Functional Theory-Based Molecular Dynamics
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Analytical Chemistry
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