Results 121 to 130 of about 53,609 (254)
The role of recoding in implicit social cognition: Investigating the scope and interpretation of the ReAL model for the implicit association test. [PDF]
Calanchini J, Meissner F, Klauer KC.
europepmc +1 more source
ABSTRACT Methane's efficient catalytic removal is vital for sustainable development. Bimetallic catalysts, though promising for methane activation, pose a design challenge due to their complex compositional space. This work introduces an integrated framework that combines high‐throughput density functional theory (DFT) and interpretable machine ...
Mingzhang Pan +8 more
wiley +1 more source
Toward Predictive Theory in Single‐Atom Catalysis
A lifecycle‐oriented framework reframes modeling in single‐atom catalysis. By combining ensemble‐based descriptions with explicit validation against experimental observables, the approach defines the scope of theory across catalyst synthesis, activity, stability, and safety, clarifying where quantitative insight is possible and where interpretation ...
Andrea Ruiz‐Ferrando +3 more
wiley +1 more source
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin +11 more
wiley +1 more source
Janice Sabin,1 Eric Mick,2 Ethan Eisdorfer,3 Majid Yazdani,4 Maria M Garcia,4 Janet Fraser Hale,5 Jill Terrien,5 Geraldine Puerto,2 Vennesa Duodu,2 Valerie Zolezzi-Wyndham,6 Joshua Rumbut,2 Joanne Calista,7 Olga Valdman,3 Stacy Potts,3 Jeroan Allison,2 ...
Sabin J +16 more
doaj
Interpretable machine learning reveals how composition and processing govern the formation and microstructural burden of Fe‐rich intermetallic compounds in recycled Al–Si–Fe–Mn alloys. By separating morphology selection from morphology‐conditioned burden partitioning, this framework shows that identical Fe contents can yield different intermetallic ...
Jaemin Wang +2 more
wiley +1 more source
Physics‐Based Compact Modeling of Advanced 3D Nanoscale Vertical NAND Flash Memory
For advanced 3D NAND flash memory, a unified compact model for SPICE is proposed that spans from the intrinsic unit cell to the full string and captures the electrostatic coupling with adjacent inhibit strings. It can successfully predict read behavior, program/erase dynamics, and interactions between neighboring cells, reflecting array‐level behavior ...
Ilho Myeong, Seonho Shin, Ickhyun Song
wiley +1 more source

