Results 191 to 200 of about 9,801,063 (300)

Professional ethics cultivation as a driver of faculty development: an analysis of its four underlying logics. [PDF]

Front Psychol
Bai JB.
europepmc   +1 more source

Machine learning–driven design of catalytic processes for sulfur dioxide oxidation: Lessons from the trenches

AIChE Journal, EarlyView.
Abstract Despite the growing use of ML in chemical engineering, the catalytic conversion of sulfur dioxide (SO2) to sulfur trioxide (SO3) remains underexplored from a data‐driven modeling perspective. This study evaluates an integrated workflow for literature‐derived SO2 oxidation data, combining data curation, preprocessing assessment, machine ...
Farough Agin, Jules Thibault, Clémence Fauteux‐Lefebvre   +2 more
wiley   +1 more source

Utility-Scale Quantum Computational Chemistry. [PDF]

J Phys Chem Lett
Castaldo D, Reiher M.
europepmc   +1 more source

A stress‐balance‐based critical Weber number for droplets and bubbles

AIChE Journal, EarlyView.
Abstract Predicting droplet and bubble breakup in turbulent flows is critical for optimizing multiphase flow processes such as emulsification and atomization. Traditional models based on a fixed critical Weber number (Wec$$ {We}_c $$) may not capture interfacial‐stress dominance in low‐viscosity fluids or viscous resistance in high‐viscosity droplets ...
Supratim S. Dipta, Krishnamurthy Ravichandar, R. Dennis Vigil, Rodney O. Fox, Michael G. Olsen   +4 more
wiley   +1 more source

Deciphering the Mechanisms of Statin-Ezetimibe Drug Combinations Using Boolean Logical Modeling and Transcriptomic Data. [PDF]

CPT Pharmacometrics Syst Pharmacol
Wang RS, Pedrelli M, Ahmed O, Paolo G, Parini P, Loscalzo J.   +5 more
europepmc   +1 more source

LLM‐Based Scientific Assistants for Knowledge Extraction: Which Design Choices Matter?

Advanced Intelligent Discovery, EarlyView.
A comprehensive framework for optimizing Large Language Models in domain‐specific applications is introduced. The LLM Playground integrates Prompt Engineering, knowledge augmentation, and advanced reasoning strategies to enable systematic comparison of architectures and base models.
David Exler, Manuel Raimann, Marc Münker, Maxim Rosin, Joaquin E. Urrutia Gómez, Christof M. Niemeyer, Markus Reischl, Luca Rettenberger   +7 more
wiley   +1 more source

Large-Scale Quantum Computing Emulation for Accurate Triplet States of Ir(III) and Pt(II) Phosphorescent Emitters. [PDF]

J Am Chem Soc
Genin SN, Kwon O, Hosseini Jenab SM, Lim SJ, Kim T, Kim TG, Gherib R, Harper AF, Ryabinkin IG, Helander MG.   +9 more
europepmc   +1 more source

Explaining the Origin of Negative Poisson's Ratio in Amorphous Networks With Machine Learning

Advanced Intelligent Discovery, EarlyView.
This review summarizes how machine learning (ML) breaks the “vicious cycle” in designing auxetic amorphous networks. By transitioning from traditional “black‐box” optimization to an interpretable “AI‐Physics” closed‐loop paradigm, ML is shown to not only discover highly optimized structures—such as all‐convex polygon networks—but also unveil hidden ...
Shengyu Lu, Xiangying Shen
wiley   +1 more source

Autonomous X‐Ray Fluorescence Mapping for Nanoscale Chemical Speciation of Fine Particulate Matter

Advanced Intelligent Discovery, EarlyView.
We present X‐AutoMap, an autonomous X‐ray fluorescence mapping framework that integrates real‐time analysis with rule‐based computer vision to selectively target chemically relevant regions. By avoiding background‐dominated areas, the method reduces acquisition time by fourfold while enabling accurate particle‐level speciation.
Carlos Deleon, Dmitri Gavrilov, Peggy O’Day, Ajith Pattammattel   +3 more
wiley   +1 more source

Overcoming essentialism: evaluation of theories of consciousness by the lawful regularities they predict. [PDF]

Neurosci Conscious
Bassler M, Pennartz CMA.
europepmc   +1 more source