Results 231 to 240 of about 6,104,936 (275)

Symbolic Regression and Multi‐Objective Optimization of the Flory–Huggins Interaction Parameter for Hydrogels

Advanced Engineering Materials, EarlyView.
We develop a data‐driven method to derive the mathematical expressions of the Flory–Huggins interaction parameter χ for the swelling behavior of temperature–responsive hydrogels. Starting from initial assumptions of χ, our workflow combines Bayesian optimization, Flory–Rehner theory, and symbolic regression to generate candidate χ expressions.
Yawen Wang, Adrian Ehrenhofer, Thomas Wallmersperger   +2 more
wiley   +1 more source

Titania: an integrated tool for in silico molecular property prediction and NAM-based modeling. [PDF]

Mol Divers
Koutroumpa NM, Antoniou M, Varsou DD, Papavasileiou KD, Sidiropoulos NK, Kyprianou C, Tsoumanis A, Sarimveis H, Lynch I, Melagraki G, Afantitis A.   +10 more
europepmc   +1 more source

Optimization of the Production of Rubber Compounds Using Mathematical Models

Advanced Engineering Materials, EarlyView.
Rubber compounds were mixed in a batch internal mixer, and symbolic regression was used to derive mathematical models linking recipe and process parameters to ram path, torque, and mixing quality (incorporation, dispersion, distribution). Subsequent optimization with evolutionary algorithms identified operating conditions that reduce specific energy ...
Anke Bardehle, Andreas Limper, Ulrich Giese, Carlos Lucke, Mario Beiner, Christoph Gögelein, Lisa Leuchtenberger‐Engel, Christian Hopmann   +7 more
wiley   +1 more source

MulAFNet: Integrating Multiple Molecular Representations for Enhanced Property Prediction

ACS Omega
Lei Ci, Beilei Li, Jiahao Xu, Sihua Peng, Linhua Jiang, Wei Long   +5 more
doaj   +1 more source

Consistent semantic representation learning for out-of-distribution molecular property prediction. [PDF]

Brief Bioinform
Wen X, Liu H, Long W, Wei S, Zhu R.
europepmc   +1 more source

Modular Critical Element Recycling Platform Using a Nanoporous Additively Manufactured Gyroid

Advanced Engineering Materials, EarlyView.
A modular recycling platform integrates 3D‐printed nanoporous gyroid structures to enable efficient critical element recovery. This system utilizes a hierarchical architecture, combining macroscopic channels with polymerization‐induced nanoscale porosity. By systematically tuning structural wall thickness and resin formulation, the platform achieves an
Xiangyu Gao, Keldy Mason, Mert Gülçür, Rachel Paddock‐Lamb, Prince Alvin Fofanah, Zachariah A. Page, Michael Cullinan   +6 more
wiley   +1 more source

Inflammation Unchecked: Concurrent Kawasaki Disease and Stevens‐Johnson Syndrome in an 18‐Month‐Old Child

Arthritis Care &Research, EarlyView.
Catherine Deffendall, Jodi Backalar, Elizabeth Acevedo Zapata, Adriana Della Porta, Lorin Bibb, Tyler Reese, Charlotte M. Brown   +6 more
wiley   +1 more source

Workflow for Design of Experiments‐Based Modeling of Species Transport and Growth Kinetics in GaN Hydride Vapor Phase Epitaxy

Advanced Engineering Materials, EarlyView.
A novel workflow for investigating hydride vapor phase epitaxy for GaN bulk crystal growth is proposed. It combines Design of experiments (DoE) with physical simulations of mass transport and crystal growth kinetics, serving as an intermediate step between DoE and experiments.
J. Tomkovič, G. Lukin, H. Torkashvand, A. Kerschbaum, M. Müller, S. Besendörfer, J. Heitmann, J. Friedrich   +7 more
wiley   +1 more source

Positional embeddings and zero-shot learning using BERT for molecular-property prediction. [PDF]

J Cheminform
Mswahili ME, Hwang J, Rajapakse JC, Jo K, Jeong YS.   +4 more
europepmc   +1 more source

Symmetry‐Guided Multifunctional Acoustic System Based on Mechanically Actuated Sonic Crystals

Advanced Engineering Materials, EarlyView.
This study presents the design, simulation, and experimental validation of amultifunctional acoustic metamaterial based on rotationally engineered sonic crystals.By tuning cylinder orientations, controllable band gaps and six distinct functionalities—including switching, topological insulation, beam splitting, and logic operations—areachieved ...
Yuanyan Zhao, Sriram Subramanian, Gianluca Memoli   +2 more
wiley   +1 more source