Results 151 to 160 of about 15,207 (302)

Relative Entropy Computations for Nonlinear Deformations of the Porous Steel Structures. [PDF]

Materials (Basel)
Strąkowski M, Kamiński M.
europepmc   +1 more source

SigmaFormer: Augmenting transformer encoders with COSMO sigma profiles for pure component property prediction

AIChE Journal, EarlyView.
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim, Silabrata Pahari, Joseph Sang‐Il Kwon   +2 more
wiley   +1 more source

The Elastic Fluctuation Tensor: Quantifying Stochastic Fluctuations of the Apparent Stiffness of Non-representative Microstructure Volume Elements. [PDF]

J Elast
Krause M, Schneider M.
europepmc   +1 more source

Automated generative process synthesis via transformer‐based dual‐loop simulation and optimization

AIChE Journal, EarlyView.
Abstract This study presents a novel framework for automated generative process synthesis, addressing the complexity of simultaneously optimizing discrete topologies and continuous operating variables. To overcome conventional superstructure limitations, we propose a dual‐loop architecture integrating generative transformers with rigorous process ...
Yeong Woo Son, Chan Kim, Ji Hun Pak, Hain Lee, Jong Min Lee   +4 more
wiley   +1 more source

Effective elastic properties and conductivity of minimal surface based stochastic and periodic metamaterials. [PDF]

Sci Rep
Abubaker HM, Al-Jamal AA, Barsoum I, Abu Al-Rub RK.   +3 more
europepmc   +1 more source

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

AIChE 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, Hemalatha Kilari, Neda Nazemifard, C. Benjamin Renner, Yihui Yang, Charles Papageorgiou, Zoltan K. Nagy   +6 more
wiley   +1 more source

No good Markov strategies for Büchi objectives in countable MDPs. [PDF]

Ann Oper Res
Kiefer S, Mayr R, Shirmohammadi M, Totzke P.   +3 more
europepmc   +1 more source

GraphRAG for engineering diagrams: ChatP&ID enables LLM interaction with P&IDs

AIChE Journal, EarlyView.
Abstract Piping and Instrumentation Diagrams (P&IDs) are central to process engineering workflows, yet extracting information from them remains a tedious and time‐consuming task. This work introduces ChatP&ID, a framework enabling natural‐language interaction with smart P&IDs through Graph Retrieval‐Augmented Generation (GraphRAG), to our knowledge ...
Achmad Anggawirya Alimin, Artur M. Schweidtmann   +1 more
wiley   +1 more source

Sparse polynomial surrogates for F-actin networks with compliant crosslinkers. [PDF]

Biomech Model Mechanobiol
Pacheco L, Parente M, Ferreira J.
europepmc   +1 more source

CrossMatAgent: AI‐Assisted Design of Manufacturable Metamaterial Patterns via Multi‐Agent Generative Framework

Advanced Intelligent Discovery, EarlyView.
CrossMatAgent is a multi‐agent framework that combines large language models and diffusion‐based generative AI to automate metamaterial design. By coordinating task‐specific agents—such as describer, architect, and builder—it transforms user‐provided image prompts into high‐fidelity, printable lattice patterns.
Jie Tian, Martin Taylor Sobczak, Dhanush Patil, Jixin Hou, Lin Pang, Arunachalam Ramanathan, Libin Yang, Xianyan Chen, Yuval Golan, Xiaoming Zhai, Hongyue Sun, Kenan Song, Xianqiao Wang   +12 more
wiley   +1 more source