Results 191 to 200 of about 288,690 (232)

Accelerated Discovery‐to‐Unveiling of High‐Performance and Affordable Ammonia Electrode Process by Human–Machine Collaboration Framework

Angewandte Chemie, EarlyView.
By employing dimensionally reduced reaction descriptors, a human–machine collaboration framework for efficient electrochemical nitrate reduction to NH3 electrocatalysts screening is established and drastically shorten the discovery timeframe. A new kinetic model is established in combination with a rotating ring‐disk electrode, unveiling the pivotal ...
Yingying Cheng, Masaki Takeguchi, Abraham Castro Garcia, Ken Sakaushi   +3 more
wiley   +1 more source

XGBoost-Based Modeling of Electrocaloric Property: A Bayesian Optimization in BCZT Electroceramics. [PDF]

Materials (Basel)
Bayir MC, Mensur E.
europepmc   +1 more source

Optimize Before You Synthesize—Enhancing the Ionic Conductivity of Li7SiPS8 Using Bayesian Optimization

Angewandte Chemie, EarlyView.
Bayesian optimization was used to optimize the synthesis parameters of the solid electrolyte Li7SiPS8$\mathrm {Li}_7\mathrm {SiPS}_8$ in order to increase the ionic conductivity. After only 32 iterations, the ionic conductivity was successfully increased from 2 to 7 mS cm−1$\mathrm {cm}^{-1}$ at 25∘C$^\circ\mathrm {C}$, while synthesis temperature and ...
Lucas G. Balzat, Robert Calaminus, Yinghan Zhao, Kristina Gjorgjevikj, Igor Moudrakovski, Simon Krause, Arnd Koeppe, Britta Nestler, Bettina V. Lotsch   +8 more
wiley   +1 more source

Automated Dynamic Flow Experimentation for Rapid Kinetic Fitting of Transition Metal Catalysis

Angewandte Chemie, EarlyView.
We have developed an automated dynamic flow experimentation platform to automatically fit and identify the most accurate kinetic model from a generated set of candidates. Three transition metal‐catalyzed transformations were performed using this workflow.
Florian L. Wagner, Klara Silber, Tobias A. Doliner, C. Oliver Kappe   +3 more
wiley   +1 more source

Multi‐Objective Catalyst Discovery in High‐Entropy Alloy Composition Space: The Role of Noble Metals on the Pareto Front for Oxygen Reduction Reaction

Angewandte Chemie, EarlyView.
Pareto optimal compositions of alloy catalyst for oxygen reduction reaction are uncovered through multi‐objective Bayesian optimization of activity, stability, and material cost in an eight‐element high‐entropy alloy composition space. The substantial Pareto front obtained is compared to experimental literature and analyzed to elucidate the roles and ...
Mads K. Plenge, Ahmad Tirmidzi, Christian M. Clausen, Matthias Arenz, Jan Rossmeisl   +4 more
wiley   +1 more source

Integration of Bayesian optimization and solution thermodynamics to optimize media design for mammalian biomanufacturing. [PDF]

iScience
Ndahiro N, Ma E, Bertalan T, Donohue M, Kevrekidis Y, Betenbaugh M.   +5 more
europepmc   +1 more source

Intelligent pear variety classification models based on Bayesian optimization for deep learning and its interpretability analysis. [PDF]

Sci Rep
Lu T, Yu F, Yu Y, Zhang L.
europepmc   +1 more source

A Portfolio Approach to Massively Parallel Bayesian Optimization. [PDF]

J Artif Intell Res
Binois M, Collier N, Ozik J.
europepmc   +1 more source

Bayesian Optimization with Gaussian Processes Assisted by Deep Learning for Material Designs. [PDF]

J Phys Chem Lett
Kiyohara S, Kumagai Y.
europepmc   +1 more source

Leveraging prior mean models for faster Bayesian optimization of particle accelerators. [PDF]

Sci Rep
Boltz T, Martinez JL, Xu C, Baker KRL, Zhu Z, Morgan J, Roussel R, Ratner D, Mustapha B, Edelen AL.   +9 more
europepmc   +1 more source