3 papers
cond-mat.mes-hall2025
First-Principles Nanocapacitor Simulations of the Optical Dielectric Constant in Water Ice
Anthony Mannino, Graciele M. Arvelos, Kedarsh Kaushik +5
We introduce a combined density functional theory (DFT) and non-equilibrium Green's function (NEGF) framework to compute the capacitance of nanocapacitors and directly extract the…
cond-mat.soft2024
Anti-Coulomb ion-ion interactions: a theoretical and computational study
Alec Wills, Anthony Mannino, Isidro Losada +3
The free energy of ion solvation can be decomposed into enthalpic and entropic contributions. This helps to understand the connection between the dielectric properties and the unde…
cond-mat.mtrl-sci2022
Flexoelectricity and surface ferroelectricity of water ice
Xin Wen, Qianqian Ma, Anthony Mannino +3
The phase diagram of ice is complex and contains many phases, but the most common (frozen water at ambient pressure, also known as Ih ice) is a non-polar material despite individua…