PiNN: Equivariant Neural Network Suite for Modeling Electrochemical Systems
Electrochemical energy storage and conversion play increasingly important roles in
electrification and sustainable development across the globe. A key challenge therein is to …
electrification and sustainable development across the globe. A key challenge therein is to …
Self-interaction and transport of solvated electrons in molten salts
The dynamics of (few) electrons dissolved in an ionic fluid—as when a small amount of
metal is added to a solution while upholding its electronic insulation—manifests interesting …
metal is added to a solution while upholding its electronic insulation—manifests interesting …
Seebeck coefficient of ionic conductors from Bayesian regression analysis
We propose a novel approach to evaluating the ionic Seebeck coefficient in electrolytes from
relatively short equilibrium molecular dynamics simulations, based on the Green–Kubo …
relatively short equilibrium molecular dynamics simulations, based on the Green–Kubo …
Charge and heat transport in ionic conductors
P Pegolo - 2023 - iris.sissa.it
Transport coefficients relate the off-equilibrium flow of locally conserved quantities, such as
charge, energy, and momentum, to gradients of intensive thermodynamic variables in the …
charge, energy, and momentum, to gradients of intensive thermodynamic variables in the …
Thermoelectric effects in polar liquids and ionic conductors
E Drigo - 2024 - tesidottorato.depositolegale.it
Transport theory describes non-equilibrium conditions. The Onsager equations set a linear
relationship between thermodynamic forces and macroscopic currents. When a temperature …
relationship between thermodynamic forces and macroscopic currents. When a temperature …