Results 241 to 250 of about 45,889 (314)

Decoupling Intrinsic Molecular Efficacy From Platform Effects: An Interpretable Machine Learning Framework for Unbiased Perovskite Passivator Discovery

Advanced Science, EarlyView.
This study establishes an interpretable machine learning framework that disentangles the intrinsic molecular efficacy of passivators from experimental platform effects—enabling unbiased, high‐throughput discovery of effective perovskite surface modifiers.
Jing Zhang, Ziyuan Li, Shan Gao, Zhen Zhu, Jing Wang, Xiangmei Duan   +5 more
wiley   +1 more source

Acceleration of the Relativistic Dirac-Kohn-Sham Method with GPU: A Pre-Exascale Implementation of BERTHA and PyBERTHA. [PDF]

J Chem Theory Comput
Storchi L, Bellentani L, Hammond J, Orlandini S, Pacifici L, Antonini N, Belpassi L.   +6 more
europepmc   +1 more source

Physics‐Constrained Constitutive Learning of Rate‐Limiting Timescales for Efficient Hydrogen‐Based Direct Reduction for Green Steel Making

Advanced Science, EarlyView.
A conversion‐resolved constitutive framework is developed for the hydrogen‐based direct reduction of iron oxide pellets. Effective reaction and transport timescales are inferred directly from measured trajectories and mapped against operating conditions, pellet architecture, and composition. The analysis reveals how late‐stage transport control emerges
Anurag Bajpai, Barak Ratzker, Pasquale Cavaliere, Dierk Raabe   +3 more
wiley   +1 more source

Multi-Hardware Benchmarking of Open-Source Large Language Models with Retrieval-Augmented Generation for Mitsubishi FX-Series PLC Instruction List Code Generation. [PDF]

Sensors (Basel)
Yeh MF, Luo CC, Lu CL.
europepmc   +1 more source

Physics‐Informed Machine Learning for Sustainable Alloy Design: Toward a Recyclable Unified Q&P Steel

Advanced Science, EarlyView.
A physics‐informed property‐bridging framework links high‐throughput hardness screening to tensile performance in quenching and partitioning steels. By transferring metallurgically guided representations across properties, a single alloy composition is designed to achieve multiple strength grades through heat‐treatment tuning alone, offering a ...
Xiaolu Wei, Yong Li, Chenchong Wang, Lingyu Wang, Xiang Song, Keming Mao, Yu Zhang, Wei Xu   +7 more
wiley   +1 more source

How large language models need symbolism. [PDF]

Natl Sci Rev
Deng X, Li H.
europepmc   +1 more source

Mechanism‐Informed Machine Learning Enables Discovery of Oncolytic Peptides for Cancer Immunotherapy

Advanced Science, EarlyView.
MISPOP integrates ensemble learning with membrane‐active physicochemical priors to identify Dermaseptin‐S9, a natural oncolytic peptide that disrupts tumor membranes, triggers immunogenic cell death, and shows strong antitumor activity. The study illustrates a mechanism‐informed route from peptide sequence data to cancer immunotherapy leads.
Wen Zhang, Shengxin Lu, Guangyong Zheng, Shensuo Li, Hongyu Chen, Mei Hong, Xiangru Zhou, Ruotian Tang, Ye Wu, Weidong Zhang, Dong Lu, Xin Luan   +11 more
wiley   +1 more source

Exploring subthreshold processing for next-generation TinyAI. [PDF]

Front Comput Neurosci
Nakhle F, Harfouche AH, Karam H, Tserolas V.   +3 more
europepmc   +1 more source

Trophic Diversity in Duckweed: Mixotrophy, More Than the Sum of its Extremes

Advanced Science, EarlyView.
In the context of rising DOC in aquatic environments, mixotrophic duckweed may impact carbon cycling by acting as either a carbon sink, as they absorb CO2 through photosynthesis, or a carbon source, as they release CO2 through respiration of absorbed DOC, which depends on DOC concentration, light availability, temperature, and other environmental ...
Zuoliang Sun, Yan Chen, Fajun Li, Xuyao Zhao, Qingxiang Han, Hongwei Hou   +5 more
wiley   +1 more source