Results 171 to 180 of about 184,015 (290)

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

NeutronJittor: Efficient CPU-GPU memory management for GNN training with Jittor. [PDF]

Fundam Res
Lu S, Fu Z, Wang Q, Zhang Y, Xu Y, Ai X, Wei Z, Yu G.   +7 more
europepmc   +1 more source

Design Principles of Electrocatalysts for Industrial‐Scale Water Electrolysis

Advanced Energy Materials, EarlyView.
This Review distills electrocatalyst design for industrial‐scale water electrolysis into integrated principles linking active‐site engineering, phase and lattice modulation, interfacial microenvironment regulation and mass‐transport control. By connecting catalyst families with HER/OER mechanisms and practical operating demands, it outlines pathways ...
Hong Tang, Ce Cui, John Wang
wiley   +1 more source

Why Physics Still Matters: Improving Machine Learning Prediction of Material Properties With Phonon‐Informed Datasets

Advanced Intelligent Discovery, EarlyView.
Phonons‐informed machine‐learning predictive models are propitious for reproducing thermal effects in computational materials science studies. Machine learning (ML) methods have become powerful tools for predicting material properties with near first‐principles accuracy and vastly reduced computational cost.
Pol Benítez, Cibrán López, Edgardo Saucedo, Teruyasu Mizoguchi, Claudio Cazorla   +4 more
wiley   +1 more source

An efficient algorithm for exploring RNA branching conformations under the nearest-neighbor thermodynamic model. [PDF]

Algorithms Mol Biol
Poznanović S, Cardwell O, Heitsch C.
europepmc   +1 more source

In Situ Contact Angle Measurement for Autonomous Spin Coating in Self‐Driving Labs

Advanced Intelligent Discovery, EarlyView.
A vision‐based add‐on transforms commercial spin coaters into autonomous modules of Self‐Driving Labs. Combining a width‐scaled U‐Net with classical geometric analysis, the system simultaneously measures contact angles and estimates substrate pose using a single camera.
Sven Fischer, Micha Hiegle, Holger Röhm
wiley   +1 more source

Structural Exploration and Expected values of Topological Indices of Square-Hexagonal <i>T</i> _2,3 Kink Chains for Advanced Engineering Applications. [PDF]

ACS Omega
Kanwal S, Khalil M, Razzaque A.
europepmc   +1 more source

The Belle II Silicon-strip Vertex Detector

, 2014
The Belle II experiment will make precision measurements and explore new physics in the flavor sector at the SuperKEKB asymmetric e+e− collider now under construction at the KEK labora- tory (Tsukuba, Japan).
VITALE, LORENZO, Lorenzo Vitale
core  

Pre‐Curved Everting Robots With Embedded Steering Intelligence Fabricated by CO2 Laser Welding

Advanced Intelligent Systems, EarlyView.
Design and experimental demonstration of a laser welded growing robot for anatomically guided navigation. The robot follows an aortic arch phantom entering the branchiocephalic branch through steering by design. The figure shows the physical phantom setup, CAD defined weld geometry and full robot eversion.
Brandon Saldarriaga, Panagiotis Kalozoumis, Panagiotis Vartholomeos, Carlo Seneci, Kawal Rhode, Christos Bergeles   +5 more
wiley   +1 more source

Distributed semi-speculative parallel anisotropic mesh adaptation. [PDF]

Eng Comput
Garner K, Thomadakis P, Chrisochoides N.
europepmc   +1 more source