Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim +2 more
wiley +1 more source
Intelligent system in the cost control of commercial complex projects: Data-driven optimization method. [PDF]
Wang S, Li Y, Yao D, Li X.
europepmc +1 more source
A new drag and lift correlation for spherocylinders from fully resolved Immersed Boundary Method
Abstract Many industrial processes deal with non‐spherical particles, e.g., mineral mining and biomass conversion. It is crucial to understand the particles' hydrodynamics to control and optimize these processes. To extend the current state‐of‐the‐art from arrays of spherical particles to spherocylindrical particles, we performed extensive particle ...
A. H. Huijgen +4 more
wiley +1 more source
Correction: Doğan et al. Earthquake Early Warning System for Izmir, Western Anatolia, Türkiye Based on Multi-Station Similarity Analysis and Real-Time Seismic Data Processing. <i>Sensors</i><b>2026</b>, <i>26</i>, 2931. [PDF]
Doğan Y +13 more
europepmc +1 more source
Flow characteristics and regime transitions in fluidization systems of Group C+ particles
Abstract Fine and ultrafine particles are attractive for fluidized bed reactors because their high surface area benefits catalytic processes, but their cohesive nature complicates regime characterization. Nanoparticle modulation improves the flowability of Group C powders, yet their bubbling to turbulent transition remains unclear.
Yue Song +3 more
wiley +1 more source
Correction: Kos et al. An Experimental Study on the Properties of Concrete and Fiber-Reinforced Concrete in Rigid Pavements. <i>Materials</i> 2023, <i>16</i>, 5886. [PDF]
Kos Ž +3 more
europepmc +1 more source
Abstract In cryogenic CO2 desublimation systems where phase change dominates both heat transfer and separation, conventional lumped thermal‐resistance treatments embed interfacial latent heat into an overall heat‐transfer coefficient, obscuring how phase‐change heat is partitioned between the gas phase and the coolant and limiting diagnostic insight ...
Shengwen Xiao +2 more
wiley +1 more source
The Advanced Development in Concrete Materials. [PDF]
Batikha M, Tamimi A, Al Martini S.
europepmc +1 more source
A practical electrodialysis model for accelerating system development
Abstract Empirical optimization of electrodialysis (ED) is dependent on repetitive experiments with incremental adjustments, which is cost prohibitive at scale. While models can reduce the costs associated with optimization and scale‐up, existing ED models are limited in application to specific use cases and tend to be developed for the exploration of ...
Smith Pittman +3 more
wiley +1 more source

