Results 231 to 240 of about 1,748,774 (291)

Integrating Machine Learning With Constant‐Potential Simulation to Unravel Charge‐Transfer Mechanisms in Electrochemical Nitrogen Fixation

Advanced Science, EarlyView.
Integrating interpretable machine learning with the fixed‐potential method reveals a novel mechanism: the catalytic activity of the electrochemical nitrogen reduction reaction is governed by partial charge transfer, induced by variations in the intermediate potential of zero charge under constant potential.
Yufei Xue, Dushuo Feng, Yuefei Zhang, Yang Zhang, Yalong Jiao, Aijun Du, Guoping Gao   +6 more
wiley   +1 more source

Five genomes, same suspects: a comparative filter for plant GWAS candidates. [PDF]

Plant Physiol
Lohani N.
europepmc   +1 more source

Unifying Composition and Process Design: A Heterogeneous Graph Neural Network for Discovering High‐Performance Cu Alloys

Advanced Science, EarlyView.
By overcoming the fixed‐path limitations of conventional machine learning, a heterogeneous graph neural network fundamentally reconstructs material data representation. Integrating variable processing sequences with intrinsic elemental features, this framework enables exploratory optimization across high‐dimensional spaces.
Jie Yin, Qian Lei, Wei Yan, Yue Li, Tong Xie, Shuang Zhou, Chong Wang, Bram Hoex, Qiang Long, Caoyang Jiang, Min Song, Zhou Li, Zhangwei Wang   +12 more
wiley   +1 more source

Analytical Approaches for Detection, Characterization, and Environmental Significance of Suspended Particulate Matter in Aquatic Systems: A Scoping Review. [PDF]

Scientifica (Cairo)
Kuznietsov P, Biedunkova O, Klymenko M, Hrytsyna O, Varzhel O, Stepanenko M.   +5 more
europepmc   +1 more source

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source

Beat Frequency Estimation in a Square He-Ne Ring Laser Gyroscope: Joint I/Q Channel Calibration and Kalman Filtering. [PDF]

Sensors (Basel)
Shi L, Luo Z, Hu J, Lu J, Chen D, Xie Z, Wu S, Tan Z.   +7 more
europepmc   +1 more source

A Universal Structural Grammar in Enzyme Fold for Predicting Drug Target Stability: Deciphering Directional Scaffolding via Multi-Stage Pearson Correlation of Asymmetric Contact Matrices. [PDF]

Pharmaceutics
Jannus F, Ramírez-Rodrigo H.
europepmc   +1 more source

Stable Elemental Fingerprints for Multi-Attribute Classification of Ginseng Using Laser-Induced Breakdown Spectroscopy. [PDF]

Plants (Basel)
Dai Y, Zhang Y, Li H, Zhao S, Liu Z.
europepmc   +1 more source

Dual-output hybrid converter based on the modular universal dc-ac/dc converter. [PDF]

Sci Rep
Gutiérrez-Escalona J, González-Antúnez JJ, Roncero-Clemente C, Matiushkin O, Pires VF, Romero-Cadaval E.   +5 more
europepmc   +1 more source

Enhanced fNIRS-Based MCI Detection via Resting-State and Task-State Integration With Spatial-Temporal Feature Reduction. [PDF]

IEEE J Transl Eng Health Med
Zhang C, Yang H, Wang J, Xiang K, Chen J, Peng L, Fan C, Wu Y, Hou ZG.   +8 more
europepmc   +1 more source