Results 231 to 240 of about 91,388 (321)

A Comprehensive Assessment and Benchmark Study of Large Atomistic Foundation Models for Phonons

Advanced Intelligent Discovery, EarlyView.
We benchmark six large atomistic foundation models on 2429 crystalline materials for phonon transport properties. The rapid development of universal machine learning potentials (uMLPs) has enabled efficient, accurate predictions of diverse material properties across broad chemical spaces.
Md Zaibul Anam, Ogheneyoma Aghoghovbia, Mohammed Al‐Fahdi, Lingyu Kong, Victor Fung, Ming Hu   +5 more
wiley   +1 more source

On Complex Spherical Harmonics [PDF]

Progress of Theoretical Physics, 1964
openaire   +2 more sources

FIRE‐GNN: Force‐Informed, Relaxed Equivariance Graph Neural Network for Rapid and Accurate Prediction of Surface Properties

Advanced Intelligent Discovery, EarlyView.
This study introduces FIRE‐GNN, a force‐informed, relaxed equivariant graph neural network for predicting surface work functions and cleavage energies from slab structures. By incorporating surface‐normal symmetry breaking and machine learning interatomic potential‐derived force information, the approach achieves state‐of‐the‐art accuracy and enables ...
Circe Hsu, Claire Schlesinger, Karan Mudaliar, Jordan Leung, Robin Walters, Peter Schindler   +5 more
wiley   +1 more source

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

Advanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy, Ram Devanathan, Sarah Allec, Giridhar Nandipati, Andrew M. Casella, David J. Senor, Duane D. Johnson, Ganesh Balasubramanian, Ayoub Soulami   +8 more
wiley   +1 more source

Interpretability and Representability of Commutative Algebra, Algebraic Topology, and Topological Spectral Theory for Real‐World Data

Advanced Intelligent Discovery, EarlyView.
This article investigates how persistent homology, persistent Laplacians, and persistent commutative algebra reveal complementary geometric, topological, and algebraic invariants or signatures of real‐world data. By analyzing shapes, synthetic complexes, fullerenes, and biomolecules, the article shows how these mathematical frameworks enhance ...
Yiming Ren, Guo‐Wei Wei
wiley   +1 more source

Terrestrial Water Storage in African Hydrological Regimes Derived from GRACE Mission Data: Intercomparison of Spherical Harmonics, Mass Concentration, and Scalar Slepian Methods. [PDF]

Sensors (Basel), 2017
Rateb A, Kuo CY, Imani M, Tseng KH, Lan WH, Ching KE, Tseng TP.   +6 more
europepmc   +1 more source

Theta Relations with Spherical Harmonics [PDF]

Proceedings of the National Academy of Sciences, 1951
openaire   +3 more sources

Wearable Metamaterials with Embodied Intelligence for Programmable Control of Human Limbs Tremor

Advanced Intelligent Systems, EarlyView.
Resulting from alternating muscle contractions, tremors can severely limit human ability to perform everyday tasks like walking or talking, due to their disruptive nature. Medication and surgery may not always effectively address tremor control. A wearable device embodying programmable smart metamaterials with adaptable intelligence to meet the demand ...
Braion Barbosa de Moura, Marcela R. Machado, Tanmoy Mukhopadhyay   +2 more
wiley   +1 more source

Spectral decomposition unlocks ascidian morphogenesis. [PDF]

Elife
Dokmegang J, Faure E, Lemaire P, Munro E, Mani M.   +4 more
europepmc   +1 more source

Loss‐Based Ensemble Generative Adversarial Network Model for Enhancing the Sperm Morphology Classification

Advanced Intelligent Systems, EarlyView.
A loss‐based ensemble generative adversarial network (GAN) framework is proposed to address mode collapse in sperm morphology classification. By integrating spatial augmentation and multiple GAN models, the study enhances synthetic data quality. The Shifted Window Transformer achieves 95.37% accuracy on the HuSHeM dataset, outperforming previous ...
Berke Cansiz, Hamza Osman Ilhan, Gorkem Serbes   +2 more
wiley   +1 more source