Results 151 to 160 of about 17,688 (209)

Population balance modeling and digital design of degree of agglomeration in industrial crystallization

open access: yesAIChE Journal, EarlyView.
Abstract This study presents a coupled population balance model (PBM) for describing the degree‐of‐agglomeration (DoA) in crystallization by independently tracking total particle and agglomerate number densities. Applied to an industrial active pharmaceutical ingredient, the model outperformed bridge‐counting methods and accurately captured DoA trends ...
Yung‐Shun Kang   +6 more
wiley   +1 more source

Machine Learning‐Assisted Second‐Order Perturbation Theory for Chemical Potential Correction Toward Hubbard U Determination

open access: yesAdvanced Intelligent Discovery, EarlyView.
In this work, the Doubao large language model (LLM) is involved in the formula derivation processes for Hubbard U determination regarding the second‐order perturbations of the chemical potential. The core ML tool is optimized for physical domain knowledge, which is not limited to parameter prediction but rather serves as an interactive physical theory ...
Mingzi Sun   +8 more
wiley   +1 more source

CAP: Commutative algebra prediction of protein-nucleic acid binding affinities. [PDF]

open access: yesMach Learn Sci Technol
Zia M   +5 more
europepmc   +1 more source

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

open access: yesAdvanced 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   +5 more
wiley   +1 more source

Toward Culturally Responsive Algebra: Evaluating and Revising Mathematical Tasks. [PDF]

open access: yesInt J Sci Math Educ
Jung H   +7 more
europepmc   +1 more source

A Unifying Approach to Self‐Organizing Systems Interacting via Conservation Laws

open access: yesAdvanced Intelligent Discovery, EarlyView.
The article develops a unified way to model and analyze self‐organizing systems whose interactions are constrained by conservation laws. It represents physical/biological/engineered networks as graphs and builds projection operators (from incidence/cycle structure) that enforce those constraints and decompose network variables into constrained versus ...
F. Barrows   +7 more
wiley   +1 more source

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