Results 131 to 140 of about 4,431,399 (381)

Statistical Automatic Summarization in Organic Chemistry [PDF]

arXiv, 2009
We present an oriented numerical summarizer algorithm, applied to producing automatic summaries of scientific documents in Organic Chemistry. We present its implementation named Yachs (Yet Another Chemistry Summarizer) that combines a specific document pre-processing with a sentence scoring method relying on the statistical properties of documents.
arxiv  

Numerical Studies of Influencing Factors on the Homogeneity of the Powder Mixture during the Powder Spreading Process of Powder Bed Fusion–Laser Beam/Metal

Advanced Engineering Materials, EarlyView.
AISI 304L stainless steel powder is mixed with silicon nitride (Si3N4) powder and processed by PBF‐LB/M, allowing partial retention of Si3N4. The numerical approach effectively predicts the Si3N4 powder homogeneity and N content distribution on the powder bed. Recent studies have focused on the alloying of nitrogen (N) in high‐alloy stainless steels by
Yuanbin Deng, Ziping Sang, Jiali Zhang, Felix Radtke, Louis Becker, Simone Herzog, Sebastian Weber, Christoph Broeckmann   +7 more
wiley   +1 more source

Hydrogel‐Based Capacitive Sensor Model for Ammonium Monitoring in Aquaculture

Advanced Engineering Materials, EarlyView.
Traditional techniques for monitoring aquaculture water quality, particularly ammonium levels, harm fish. This work presents a novel capacitive sensor with an ionic hydrogel transducer to monitor ammonium concentration in real time based on the ammonium‐induced hydrogel dissociation and osmotic pressure. Monitoring aquaculture water quality, especially
Mohammad Mirzaee, Mahdi Askari‐sedeh, Ali Zolfagharian, Mostafa Baghani   +3 more
wiley   +1 more source

Teaching Computational Chemistry Using Computers

CHIMIA, 1995
Jacques Weber, Pierre-Yves Morgantini
doaj   +4 more sources

Multifunctional Design of Triply Periodic Minimal Surface Structures for Temporary Pediatric Fixation Devices

Advanced Engineering Materials, EarlyView.
A metallic implant's higher stiffness compared to the surrounding bone leads to stress shielding problems, causing bone density reduction and bone growth interference in pediatric patients. 3D‐printed triply periodic minimal surface structures present a promising engineering solution.
Ali Ebrahimzadeh Dehaghani, Zia Javanbakht, Martina Barzan, David G. Lloyd, Stefanie Feih   +4 more
wiley   +1 more source

LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset [PDF]

arXiv
Chemistry plays a crucial role in many domains, such as drug discovery and material science. While large language models (LLMs) such as GPT-4 exhibit remarkable capabilities on natural language processing tasks, existing research indicates that their performance on chemistry tasks is discouragingly low.
arxiv  

Bridging Nature and Technology: A Perspective on Role of Machine Learning in Bioinspired Ceramics

Advanced Engineering Materials, EarlyView.
Machine learning (ML) is revolutionizing the development of bioinspired ceramics. This article investigates how ML can be used to design new ceramic materials with exceptional performance, inspired by the structures found in nature. The research highlights how ML can predict material properties, optimize designs, and create advanced models to unlock a ...
Hamidreza Yazdani Sarvestani, Aditi Singh, Behnam Ashrafi   +2 more
wiley   +1 more source

An Automatized Simulation Workflow for Powder Pressing Simulations Using SimStack

Advanced Engineering Materials, EarlyView.
The implementation of Workflow active Nodes (WaNos) for the convenient execution and automated evaluation of discrete element method calculations of powder pressing is showcased. Purposeful combination of WaNos creates timesaving and resource‐effective computational workflows.
Bjoern Mieller, Masood Valavi, Celso Ricardo Caldeira Rêgo   +2 more
wiley   +1 more source

Recent advances in developing multiscale descriptor approach for the design of oxygen redox electrocatalysts

iScience, 2023
Summary: Oxygen redox electrocatalysis is the crucial electrode reaction among new-era energy sources. The prerequisite to rationally design an ideal electrocatalyst is accurately identifying the structure-activity relationship based on the so-called ...
Dantong Zhang, Qi Zhang, Chao Peng, Zhi Long, Guilin Zhuang, Denis Kramer, Sridhar Komarneni, Chunyi Zhi, Dongfeng Xue   +8 more
doaj  

Linear-Scaling Quantum Circuits for Computational Chemistry. [PDF]

J Chem Theory Comput, 2023
Magoulas I, Evangelista FA.
europepmc   +1 more source