We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu +3 more
wiley +1 more source
The Influence of Sunflower Seed Hull Content on the Mechanical, Thermal, and Functional Properties of PHBV-Based Biocomposites. [PDF]
Janowski G +6 more
europepmc +1 more source
Shape‐Changing Multiphase Microparticles from Complex Liquid Crystal Emulsions
Liquid crystalline network (LCN) microparticles are prepared from single, double (Janus), and triple emulsions through a simple and scalable bulk‐emulsification strategy. Under heating, the particles exhibit robust, reversible, large‐amplitude deformations that depend both on the morphology and the liquid crystals director field configuration.
Marco Turriani +3 more
wiley +1 more source
Designing for Dispersibility: How Crystallinity and Solubilizing Groups Affect Quantum Dot Dispersion in Diphenylhexatriene Matrices. [PDF]
Kilbride RC +14 more
europepmc +1 more source
Engineering Strategies for Stable and Long‐Life Alkaline Zinc‐Based Flow Batteries
Alkaline zinc‐based flow batteries face persistent challenges from unstable zinc deposition, including dendrite growth, passivation, corrosion, and hydrogen evolution, which severely limit cycling stability. Current research addresses these issues through coordinated electrode structuring, electrolyte regulation, and membrane design to control zinc ...
Yuran Bai +6 more
wiley +1 more source
High-Performance Cu-Based Liquid Thermocells Enabled by Thermosensitive Crystallization and Etched Carbon Cloth Electrode. [PDF]
Fang W +11 more
europepmc +1 more source
The shape of guanine self‐assemblies is tuned by introducing alkyl (G8), fluoroalkyl (G8f), and oligoether (G8g) side chains into the G moiety. The scanning tunneling microscopy results and calculations show that the presence and type of the side chain strongly affect the G self‐assembly network.
So‐Huei Kang +9 more
wiley +1 more source
Chiral Self-Assembly of Zinc and Magnesium Porphyrins with Enantiopure Cyclohexanohemicucurbiturils in Solution and in Solid State. [PDF]
Šakarašvili M +11 more
europepmc +1 more source
A reactive in situ solution complexation strategy reconstructs the surface of 2.0 eV ultra‐wide‐bandgap perovskites via proton transfer. This chemical modulation eliminates metallic defects and induces a degenerate‐like n‐type surface, establishing an Ohmic tunneling contact.
Saemon Yoon +11 more
wiley +1 more source
Cryopreservation of Anopheles gambiae Larvae. [PDF]
Joshi P +7 more
europepmc +1 more source

