Molecular and Ionic Solids
Solubility of Ionic Compounds
Theory of Metallic Conduction
Recrystallization: Solid–Solution Equilibria
Phase Transitions: Melting and Freezing
Intermolecular Forces
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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
Keishu Utimula1, Tom Ichibha2, Genki I Prayogo2
1School of Materials Science, JAIST, Asahidai 1-1, Nomi, Ishikawa, 923-1292, Japan. mwkumk1702@icloud.com.
We developed a quantum annealing framework to calculate the correlation factor in ionic diffusion. This method promises to link microstructural details to macroscopic diffusion coefficients, outperforming current techniques.
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