Results 91 to 100 of about 969,371 (282)

Chemical shifts in molecular solids by machine learning

Nature Communications, 2018
Solid-state nuclear magnetic resonance combined with quantum chemical shift predictions is limited by high computational cost. Here, the authors use machine learning based on local atomic environments to predict experimental chemical shifts in molecular ...
Federico M. Paruzzo, Albert Hofstetter, Félix Musil, Sandip De, Michele Ceriotti, Lyndon Emsley   +5 more
doaj   +1 more source

Design Strategies and Emerging Applications of High‐Performance Flexible Piezoresistive Pressure Sensors

Advanced Functional Materials, EarlyView.
Flexible piezoresistive pressure sensors underpin wearable and soft electronics. This review links sensing physics, including contact resistance modulation, quantum tunneling and percolation, to unified materials/structure design. We highlight composite and graded architectures, interfacial/porous engineering, and microstructured 3D conductive networks
Feng Luo, Artur Ciesielski, Paolo Samorì   +2 more
wiley   +1 more source

Hydrogen‐Bond–Driven Ion Retention in Electrolyte‐Gated Synaptic Transistors

Advanced Functional Materials, EarlyView.
Anion molecular design governs ion–polymer interactions in electrolyte‐gated synaptic transistors. Asymmetric anions induce hydrogen‐bond interactions that suppress ion back‐diffusion and stabilize doping, enabling enhanced nonvolatile synaptic properties.
Donghwa Lee, Hyoik Jang, Myeongjin An, Junho Sung, Chaeyeon Han, Eunho Lee   +5 more
wiley   +1 more source

On computational models of theory of mind and the imitative reinforcement learning in spiking neural networks

Scientific Reports
Theory of Mind is referred to the ability of inferring other’s mental states, and it plays a crucial role in social cognition and learning. Biological evidences indicate that complex circuits are involved in this ability, including the mirror neuron ...
Ashena Gorgan Mohammadi, Mohammad Ganjtabesh   +1 more
doaj   +1 more source

Laser‐Assisted Processing and Modification of Bioactive Glasses: A Review

Advanced Healthcare Materials, EarlyView.
Laser technologies provide powerful tools to process and transform bioactive glasses for advanced biomedical applications. This review discusses laser‐matter interaction mechanisms, laser surface engineering, and laser‐assisted fabrication of scaffolds and nanofibers.
Antonio Riveiro, Mario González‐Quintas, Mónica Fernández‐Arias, Jesús del Val, Félix Quintero, Rafael Comesaña, Fernando Lusquiños, Julian R. Jones, Juan Pou   +8 more
wiley   +1 more source

THE INTEGRATION OF COMPUTATIONAL CHEMISTRY TO SUPPORT INTERACTIVE LEARNING MEDIA FOR SENIOR HIGHSCHOOL: AN INNOVATIVE STRATEGY TO IMPLEMENT ‘KURIKULUM MERDEKA’

Jurnal Layanan Masyarakat (Journal of Public Services)
Simulation or chemical modeling with computers is a major topic in computational chemistry. This subject is not covered in high school material, however, this method can be applied to support a more interactive learning process.
Kautsar Ul Haq, Alfinda Novi Kristanti, Hery Suwito, Nanik Siti Aminah, R. Aryabraga Rusdipoetra, Fariz Rizky Alfian, Syarifah Asyura   +6 more
doaj   +1 more source

Dual‐Peptide Nanoplatform: Mesoporous Silica Nanoparticles Functionalized With a Cell‐Penetrating Peptide and Loaded With Rationally Designed Antimicrobial Peptides for Tuberculosis Therapy

Advanced Healthcare Materials, EarlyView.
Machine learning–guided engineering of a plectasin‐derived peptide yields DC05, a potent antimycobacterial candidate. Encapsulation into tuftsin‐functionalized mesoporous silica nanoparticles enhances intracellular delivery, stability, and activity against Mycobacterium tuberculosis while maintaining low cytotoxicity and minimal hemolysis. The combined
Christian S. Carnero Canales, Cesar Augusto Roque‐Borda, Ana Carolina Cerqueira Negri, Oswaldo Ramirez Delgado, Letícia Oliveira Catarin Nunes, Flávia Aparecida Resende, Hernane Barud, Norival Alves Santos‐Filho, Saulo Santesso Garrido, Karen Cristina Oliveira, Alexandra Ivo de Medeiros, Rafael Miguel Sábio, Fernando Rogério Pavan   +12 more
wiley   +1 more source

Enhanced Endoscopic Internal Drainage of Gastric Abscess Through Additively Manufactured Stents

Advanced Healthcare Materials, EarlyView.
Postoperative gastric leaks are often treated with off‐label biliary double‐pigtail stents, yet conventional extruded designs are not optimized for leak anatomy, can migrate, and may limit abscess evacuation. PETALS is introduced to optimize transmural drainage geometry and enable patient‐specific 3D‐printable stents.
Parima Phowarasoontorn, Yongbin Ko, Juan S. Barajas‐Gamboa, Juan P. Pantoja, Oraib Al‐Ketan, Mohamed Ali, Sungyun Sohn, Heba Tageldeen Naser, Abdel‐Hameed Dabbour, Batoul Khlaifat, Ahmed AlZubaidi, Carlos Abril Vega, John Rodriguez, Matthew Kroh, Khalil B. Ramadi   +14 more
wiley   +1 more source

Computational Theories of Curiosity-Driven Learning

, 2018
What are the functions of curiosity? What are the mechanisms of curiosity-driven learning?We approach these questions about the living using concepts and tools from machine learning and developmental robotics. We argue that curiosity-driven learning enables organisms to make discoveries to solve complex problems with rare or deceptive rewards.
openaire   +4 more sources

Unveiling the Role of Curvature in Carbon for Improved Energy Release of Ammonium Perchlorate

Advanced Materials, EarlyView.
High‐curvature carbon materials identified via machine learning and simulation can enhance the heat release and combustion performance of ammonium perchlorate. ABSTRACT The catalytic role of carbon curvature in the thermal decomposition of ammonium perchlorate (AP) remains largely unexplored. To address this gap, this study employs machine learning and
Dan Liu, Keliang Song, Haorui Zhang, Zhipeng Liu, Guansong He, Junru Wang, Wenming Yang, Xu Zhao, Zhijian Yang   +8 more
wiley   +1 more source