Nested sampling for materials

LB Pártay, G Csányi, N Bernstein - The European Physical Journal B, 2021 - Springer
We review the materials science applications of the nested sampling (NS) method, which
was originally conceived for calculating the evidence in Bayesian inference. We describe …

Study of disorder in pulsed laser deposited double perovskite oxides by first-principle structure prediction

E Fertitta, S Das, D Banerjee, F Ebrahimi… - npj Computational …, 2021 - nature.com
Double perovskite oxides, with generalized formula A2BB′ O6, attract wide interest due to
their multiferroic and charge transfer properties. They offer a wide range of potential …

[HTML][HTML] The phase diagram of Mercedes Benz model of water using nested sampling algorithm and molecular dynamics simulations

P Ogrin, T Urbic - Fluid Phase Equilibria, 2024 - Elsevier
Abstract The Mercedes Benz (MB) model of water is quite popular for explaining the
properties of water, but the complete phase diagram has not yet been published. In the MB …

Select applications of bayesian data analysis and machine learning to flow problems

N Seryo, JJ Molina, T Taniguchi - Nihon Reoroji Gakkaishi, 2021 - jstage.jst.go.jp
This review focuses on the use of Bayesian Data Analysis and Machine Learning
Techniques to study and analyze flow problems typical to polymer melt systems. We present …