Results 221 to 230 of about 22,088 (262)

On the Open TS/ST Correspondence. [PDF]

Commun Math Phys
François M, Grassi A.
europepmc   +1 more source

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

Blockchain-Enabled Uncertainty-Aware Passive Wi-Fi Localization for Secure Critical Infrastructure Sensor Networks. [PDF]

Sensors (Basel)
Prokopovych-Tkachenko D, Galushchenko O, Torstensson O, Zvieriev V, Adilzhanova S, Pignaton de Freitas E.   +5 more
europepmc   +1 more source

Toward Predictable Nanomedicine: Current Forecasting Frameworks for Nanoparticle–Biology Interactions

Advanced Intelligent Discovery, EarlyView.
Predictive models successfully screen nanoparticles for toxicity and cellular uptake. Yet, complex biological dynamics and sparse, nonstandardized data limit their accuracy. The field urgently needs integrated artificial intelligence/machine learning, systems biology, and open‐access data protocols to bridge the gap between materials science and safe ...
Mariya L. Ivanova, Michael Nicholls, Nicola Russo, Gueorgui Mihaylov, Konstantin Nikolic   +4 more
wiley   +1 more source

Scalable Implementation of Mean-Field and Correlation Methods Based on Lie-Algebraic Similarity Transformation of Spin Hamiltonians in the Jordan-Wigner Representation. [PDF]

J Chem Theory Comput
Ghassemi Tabrizi S, Henderson TM, Kühne TD, Scuseria GE.   +3 more
europepmc   +1 more source

High-resolution, multidimensional solar radiation evaluation for the scientific protection of built heritage sites. [PDF]

Commun Eng
Ni P, Zhang D, Bi W, Lei F, Yang C, Yan J, Yue Y, Feng Y, Zheng Z, Fu J, Wang J, Ma C, Li F, Yao S, Zheng H, Sun H, Qin G, He BJ, Yan Z, Lin B.   +19 more
europepmc   +1 more source

Long-duration electricity storage needs for coping with Dunkelflaute events in Europe. [PDF]

Nat Commun
Kittel M, Roth A, Schill WP.
europepmc   +1 more source

Km-scale coupled simulation and model-observation SST trend discrepancy. [PDF]

Proc Natl Acad Sci U S A
Kang SM, Putrasahan DA, Brizuela NG, Haak H, Kröger J, Marotzke J, Stevens B, von Storch JS.   +7 more
europepmc   +1 more source

Testing CP-violation in a heavy Higgs sector at CLIC. [PDF]

Eur Phys J C Part Fields
Cheung K, Mao YN, Moretti S, Zhang R.
europepmc   +1 more source