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Closed-loop optimization of nanoparticle synthesis enabled by robotics and machine learning
Colloidal nanoparticles are attractive materials for various energy and chemical
applications. Due to their strictly tunable structure-function relationships, reproducibly …
applications. Due to their strictly tunable structure-function relationships, reproducibly …
Bayesian Optimization‐guided Discovery of High‐performance Methane Combustion Catalysts based on Multi‐component PtPd@ CeZrOx Core–Shell Nanospheres
X Feng, X Gong, D Liu, Y Li, Y Jiang… - Angewandte …, 2023 - Wiley Online Library
Formula regulation of multi‐component catalysts by manual search is undoubtedly a time‐
consuming task, which has severely impeded the development efficiency of high …
consuming task, which has severely impeded the development efficiency of high …
Screening Multicomponent Alloys Using Evidence Theory and High-Throughput DFT Calculations for C2-Selective eCO2RR
F Kuroda, M Ibe, M Otani - The Journal of Physical Chemistry C, 2024 - ACS Publications
In this paper, we propose a strategy for screening multicomponent alloys using evidence
theory and high-throughput density functional theory calculations. We demonstrate an …
theory and high-throughput density functional theory calculations. We demonstrate an …
A case study in the development of improved promoted Pt catalysts for propane dehydrogenation through Bayesian optimization with uncertainty quantification
Exploring the vast design space of multimetallic heterogeneous catalysts using traditional
lab-scale reactors is often time-consuming and labor-intensive. This is due to the complexity …
lab-scale reactors is often time-consuming and labor-intensive. This is due to the complexity …
Accelerated High-Entropy Alloys Discovery for Electrocatalysis via Robotic-Aided Active Learning
This work explores the accelerated discovery of High-Entropy Alloys electrocatalysts using a
novel carbothermal shock fabrication method, underpinned by an active learning approach …
novel carbothermal shock fabrication method, underpinned by an active learning approach …
Optimal experimental designs for the exploration of reaction kinetic phase diagrams
F Felsen - 2022 - pure.mpg.de
From the purification of exhaust gases to the large scale industrial production of fertilizers,
heterogeneous catalysis is of fundamental importance in various branches of our modern …
heterogeneous catalysis is of fundamental importance in various branches of our modern …