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167-tik 1-10 emaitza erakusten
Adaptive multi-stage integration schemes for Hamiltonian Monte Carlo
(2024-01-26)
Hamiltonian Monte Carlo (HMC) is a powerful tool for Bayesian statistical inference due to its potential to rapidly explore high dimensional state space, avoiding the random walk behavior typical of many Markov Chain Monte ...
The crystal chemistry and reactivity of ternary Na2Fe3Cl8 from the NaCl-FeCl2 system and its potential application as coating layer for cathode in sodium ion batteries
(2023-12-15)
This report explores theoretical and experimental methods to characterize the ternary phases arising from the NaCl + FeCl2 system at both low (150 °C) and high temperatures (550 °C), through milling and evaporation processing ...
BayFlux: A Bayesian Method to Quantify Metabolic Fluxes and their Uncertainty at the Genome Scale.
(2023-11-10)
Metabolic fluxes, the number of metabolites traversing each biochemical reaction in a cell per unit time, are crucial for assessing and understanding cell function. 13C Metabolic Flux Analysis (13C MFA) is considered to ...
A Novel Mathematical Approach for Analysis of Integrated Cell–Patient Data Uncovers a 6-Gene Signature Linked to Endocrine Therapy Resistance
(2023-11-09)
A significant number of breast cancers develop resistance to hormone therapy. This progression, while posing a major clinical challenge, is difficult to predict. Despite important contributions made by cell models and ...
Anion Trapping and Ionic Conductivity Enhancement in PEO-Based Composite Polymer-Li<inf>7</inf>La<inf>3</inf>Zr<inf>2</inf>O<inf>12</inf> Electrolytes: The Role of the Garnet Li Molar Content
(2023-06-13)
The successful development of all-solid-state batteries will provide solutions for many problems facing current Li-ion batteries, such as high flammability, limited energy density, poor cyclability and low cation transference ...
Reducing Model Complexity by Means of the Optimal Scaling: Population Balance Model for Latex Particles Morphology Formation.
(2023-04-15)
Rational computer-aided design of multiphase polymer materials is vital for rapid progress in many important applications, such as: diagnostic tests, drug delivery, coatings , additives for constructing materials, cosmetics, ...
A High-Quality Genome-Scale Model for Rhodococcus opacus Metabolism
(2023)
Rhodococcus opacus is a bacterium that has a high tolerance to aromatic compounds and can produce significant amounts of triacylglycerol (TAG). Here, we present iGR1773, the first genome-scale model (GSM) of R. opacus PD630 ...
Partition Constant of Binary Mixtures for the Equilibrium between a Bulk and a Confined Phase
(2022-09-15)
It is well-known that the thermodynamic, kinetic and structural properties of fluids, and in particular of water and its solutions, can be drastically affected in nanospaces. A possible consequence of nanoscale confinement ...
On the interfacial lithium dynamics in Li7La3Zr2O12:poly(ethylene oxide) (LiTFSI) composite polymer-ceramic solid electrolytes under strong polymer phase confinement
(2022-05-27)
A better molecular-level understanding of Li+ diffusion through ceramic/polymer interfaces is key to designing high-performance composite solid-state electrolytes for all-solid-state batteries. By considering as a case ...
Numerical Regge pole analysis of resonance structures in state-to-state reactive differential cross sections
(2022-04-19)
This is the third (and the last) code in a collection of three programs [Sokolovski et al. (2011), Akhmatskaya et al. (2014)] dedicated to the analysis of numerical data, obtained in an accurate simulation of an atom-diatom ...