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Bayesian optimization of radical polymerization reactions in a flow synthesis system

Shogo Takasuka, Sho Ito, Shunto Oikawa, Yosuke Harashima, Tomoaki Takayama, Aniruddha Nag, Araki Wakiuchi, Tsuyoshi Ando, Tetsunori Sugawara, Miho Hatanaka, Tomoyuki Miyao, Takamitsu Matsubara, Yu-ya Ohnishi, Hiroharu Ajiro, Mikiya Fujii

Version 2 posted 05 April 2024

635

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Energy

Review

Accelerating Aqueous Electrolyte Design with Automated Full-Cell Battery Experimentation and Bayesian Optimization

Jackie T. Yik, Carl Hvarfner, Jens Sjölund, Erik J. Berg, Leiting Zhang

Version 3 posted 02 April 2025

492

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Materials Science

Working Paper

Machine Learning and High-Throughput Robust Design of P3HT-CNT Composite Thin Films for High Electrical Conductivity

Daniil Bash, Yongqiang Cai, Chellappan Vijila, Swee Liang Wong, Yang Xu, Pawan Kumar, Jin Da Tan, Anas Abutaha, Jayce Jian Wei Cheng, Yee Fun Lim, Isaac Parker Siyu Tian, Zekun Ren, Wai Kuan Wong, Flore Mekki-Berrada, Jatin Nitin Kumar, Saif Khan, Qianxiao Li, Tonio Buonassisi, Kedar Hippalgaonkar

Version 1 posted 23 November 2020

398

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Theoretical and Computational Chemistry

Working Paper

Two-Step Machine Learning Enables Optimized Nanoparticle Synthesis

Flore Mekki-Berrada, Zekun Ren, Tan Huang, Wai Kuan Wong, Fang Zheng, Jiaxun Xie, Isaac Parker Siyu Tian, Senthilnath Jayavelu, Zackaria Mahfoud, Daniil Bash, Kedar Hippalgaonkar, Saif Khan, Tonio Buonassisi, Qianxiao Li, Xiaonan Wang

Version 1 posted 21 July 2020

842

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1

Citations

Materials Science

Working Paper

Bayesian optimization of nanoporous materials

Aryan Deshwal, Cory Simon, Janardhan Rao Doppa

Version 2 posted 12 July 2021

1,785

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1

Citations

Materials Science

Working Paper

Accelerating Dental Adhesive Innovations Through Active Learning and Bayesian Optimization

Ramsey Issa, Robert Sorenson, Taylor D. Sparks

Version 1 posted 17 May 2024

258

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Theoretical and Computational Chemistry

Working Paper

Prediction of intrinsic solubility for drug-like organic compounds using Automated Network Optimizer (ANO) for physicochemical feature and hyperparameter optimization

You Kyoung Chung, Seung Jin Lee, Junho Lee, Himchanvit Cho, Sung-Jin Kim, Joonsuk Huh

Version 1 posted 07 November 2024

147

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Polymer Science

Working Paper

Autonomous Size-Targeting for Block Copolymer Nanoparticles

Oliver Weismantel, Lakshani Weerarathna, Tanja Junkers

Version 1 posted 18 June 2024

240

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Organic Chemistry

Working Paper

Autonomous Optimization of Discrete Reaction Parameters: Mono-Functionalization of a Bifunctional Substrate via a Suzuki-Miyaura Reaction

Seiji Akiyama, Hayaka Akitsu, Ryo Tamura, Wataru Matsuoka, Satoshi Maeda, Koji Tsuda, Yuuya Nagata

Version 2 posted 22 November 2024

583

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Analytical Chemistry

Working Paper

Closed-Loop Navigation of a Kinetic Zone Diagram for Redox-Mediated Electrocatalysis Using Bayesian Optimization, a Digital Twin, and Automated Electrochemistry

Michael Pence, Gavin Hazen, Joaquín Rodríguez López

Version 1 posted 23 December 2024

296

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Refine Search

63 results in Bayesian optimization in Keywords: Bayesian optimization

Bayesian optimization of radical polymerization reactions in a flow synthesis system

Accelerating Aqueous Electrolyte Design with Automated Full-Cell Battery Experimentation and Bayesian Optimization

Machine Learning and High-Throughput Robust Design of P3HT-CNT Composite Thin Films for High Electrical Conductivity

Two-Step Machine Learning Enables Optimized Nanoparticle Synthesis

Bayesian optimization of nanoporous materials

Accelerating Dental Adhesive Innovations Through Active Learning and Bayesian Optimization

Prediction of intrinsic solubility for drug-like organic compounds using Automated Network Optimizer (ANO) for physicochemical feature and hyperparameter optimization

Autonomous Size-Targeting for Block Copolymer Nanoparticles

Autonomous Optimization of Discrete Reaction Parameters: Mono-Functionalization of a Bifunctional Substrate via a Suzuki-Miyaura Reaction

Closed-Loop Navigation of a Kinetic Zone Diagram for Redox-Mediated Electrocatalysis Using Bayesian Optimization, a Digital Twin, and Automated Electrochemistry

63 results in Keywords: Bayesian optimization