Closed-loop optimization of nanoparticle synthesis enabled by robotics and machine learning

J Park, YM Kim, S Hong, B Han, KT Nam, Y Jung - Matter, 2023 - cell.com
Colloidal nanoparticles are attractive materials for various energy and chemical
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 …

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 …

A case study in the development of improved promoted Pt catalysts for propane dehydrogenation through Bayesian optimization with uncertainty quantification

U Kurumbail, HR Darji, M Alvear, S Chen… - Chemical Engineering …, 2025 - Elsevier
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 …

Accelerated High-Entropy Alloys Discovery for Electrocatalysis via Robotic-Aided Active Learning

Z Ren, Z Zhang, Y Tian, J Li - … Design and Active Learning in the …, 2023 - openreview.net
This work explores the accelerated discovery of High-Entropy Alloys electrocatalysts using a
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 …