Proposes replica state exchange MetaD and parallel bias MetaD to map free energy surfaces for multiparticle diffusion in crystals, benchmarked on 2D Li diffusion in LixTiS2 with results consistent with prior KMC and NMR data.
Vineyard, Journal of Physics and Chemistry of Solids, 3, 121 (1957)
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cond-mat.mtrl-sci 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
A Metadynamics-Based Framework for Free Energy Surface Mapping of Multiparticle Diffusion in Crystals
Proposes replica state exchange MetaD and parallel bias MetaD to map free energy surfaces for multiparticle diffusion in crystals, benchmarked on 2D Li diffusion in LixTiS2 with results consistent with prior KMC and NMR data.