14 citations · 32 across the 7 of their papers we have counts for
7 papers
Accelerated Prediction of Surface Stability and Particle Morphology in Ionic Crystals via Electrostatic Screening
Sourav Baiju, Payam Kaghazchi
This work presents a fast and scalable approach for predicting surface stability and equilibrium crystal morphology in ionic materials using electrostatic analysis. The method cons…
Computational Studies on O2-P2 Phase-Transition Dynamics in Layered-Oxide Sodium-Ion Cathode Materials
Konstantin Köster, Payam Kaghazchi
Sodium-ion batteries have gained much interest over the past years and especially layered oxides are highly considered as cathodes for the next generation of batteries. However, th…
Simulating charging characteristics of lithium iron phosphate by electro-ionic optimization on a quantum annealer
Tobias Binninger, Yin-Ying Ting, Konstantin Köster +4
The rapid evolution of quantum computing hardware opens up new avenues in the simulation of energy materials. Today's quantum annealers are able to tackle complex combinatorial opt…
Optimization of Coulomb Energies in Gigantic Configurational Spaces of Multi-Element Ionic Crystals
Konstantin Köster, Tobias Binninger, Payam Kaghazchi
Most of the novel energy materials contain multiple elements occupying a single site in their lattice. The exceedingly large configurational space of these materials imposes challe…
Influence of elastic strain on the thermodynamics and kinetics of lithium vacancy in bulk LiCoO2
Ashkan Moradabadi, Payam Kaghazchi, Jochen Rohrer +1
The influence of elastic strain on the lithium vacancy formation and migration in bulk LiCoO2 is evaluated by means of first-principles calculations within density functional theor…
Two-Scale Kirchhoff Theory: Comparison of Experimental Observations With Theoretical Prediction
G. R. Jafari, P. Kaghazchi, R. S. Dariani +4
We introduce a non-perturbative two scale Kirchhoff theory, in the context of light scattering by a rough surface. This is a two scale theory which considers the roughness both in…