Results 241 to 250 of about 374,385 (274)

Predicting hydrogen atom transfer energy barriers using Gaussian process regression.

Digit Discov
Ulanov E, Qadir GA, Riedmiller K, Friederich P, Gräter F.   +4 more
europepmc   +1 more source

Prediction of Structural Stability of Layered Oxide Cathode Materials: Combination of Machine Learning and Ab Initio Thermodynamics

Advanced Energy Materials, EarlyView.
In this work, we developed a phase‐stability predictor by combining machine learning and ab initio thermodynamics approaches, and identified the key factors determining the favorable phase for a given composition. Specifically, a lower TM ionic potential, higher Na content, and higher mixing entropy favor the O3 phase.
Liang‐Ting Wu, Milica Zdravković, Dijana Milosavljević, Konstantin Köster, Olivier Guillon, Jyh‐Chiang Jiang, Payam Kaghazchi   +6 more
wiley   +1 more source

Smart Exploration of Perovskite Photovoltaics: From AI Driven Discovery to Autonomous Laboratories

Advanced Energy Materials, EarlyView.
In this review, we summarize the fundamentals of AI in automated materials science, and review AI applications in perovskite solar cells. Then, we sum up recent progress in AI‐guided manufacturing optimization, and highlight AI‐driven high‐throughput and autonomous laboratories.
Wenning Chen, Zheyu Zhang, Kelvian T. Mularso, Bonghyun Jo, Hyun Suk Jung   +4 more
wiley   +1 more source

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

Disentangling the relationships between denomination of origin regulatory councils activities and Spanish wineries' export performance

Agribusiness, EarlyView.
Abstract World markets for quality differentiated agri‐food products are highly competitive, presenting significant challenges for firms aiming to compete effectively. Government agencies and business organizations often implement various export promotion policies to address these challenges.
Nicolás Depetris‐Chauvin, Marta Fernández‐Olmos   +1 more
wiley   +1 more source

Food Prices and Inflation Expectations in New Zealand

Agribusiness, EarlyView.
ABSTRACT Food prices are conspicuous, and spending on food constitutes a considerable share of household expenditure. In this study, we use partially identified Bayesian structural vector autoregression models to analyze the effects of food price shocks on core inflation and 1‐ and 5‐year inflation expectations in New Zealand.
Puneet Vatsa, Gabriel Pino, Alex Acheampong   +2 more
wiley   +1 more source

Extralevator Abdominoperineal Excision Improves Overall Survival Compared to Standard Abdominoperineal Excision: A Systematic Review and Meta‐Analysis

Annals of Gastroenterological Surgery, EarlyView.
This systematic review and meta‐analysis of 38 studies, encompassing over 5000 patients, compared extralevator abdominoperineal excision (ELAPE) with standard abdominoperineal excision (APE) in patients with advanced low rectal cancer. ELAPE was associated with significantly improved overall and disease‐free survival, reduced intraoperative perforation
Sarolta Beáta Kávási, Diana‐Elena Floria, Anett Rancz, Dániel Sándor Veres, Nándor Faluhelyi, Pál Miheller, Péter Hegyi, Szabolcs Ábrahám   +7 more
wiley   +1 more source

AI in chemical engineering: From promise to practice

AIChE Journal, EarlyView.
Abstract Artificial intelligence (AI) in chemical engineering has moved from promise to practice: physics‐aware (gray‐box) models are gaining traction, reinforcement learning complements model predictive control (MPC), and generative AI powers documentation, digitization, and safety workflows.
Jia Wei Chew, Ronnie Andersson, Thomas Bierweiler, Patrik Ryttestal, Torsten Wik   +4 more
wiley   +1 more source

Model‐based fault diagnosis and fault tolerant control in safety‐critical chemical reactors: An experimental study

AIChE Journal, EarlyView.
Abstract This study investigates a fault‐tolerant control (FTC) approach for continuous stirred‐tank reactors (CSTR), emphasizing the importance of timely interventions to ensure operational safety under fault conditions. A systematic methodology combining residual‐based fault estimation and Dynamic Safety Margin (DSM) monitoring is developed to guide ...
Pu Du, Ritu Ranjan, Benjamin Wilhite, Costas Kravaris   +3 more
wiley   +1 more source

An Intuitive Tutorial to Gaussian Process Regression

Computing in Science and Engineering, 2023
8 pages, 12 ...
Jie Wang
exaly   +3 more sources