RESEARCH PAPER · ChemRxiv · 2022
Serendipity based recommender system for perovskites material discovery: balancing exploration and exploitation across multiple models
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Collaborative methods to enhance reproducibility and accelerate discovery
Digital Discovery · 2022-11-29
Drew A. Leins, Steven B. Haase, Mohammed Eslami, Joshua Schrier, Jared Freeman
Read original paper ↗ ·Automated Library Generation and Serendipity Quantification Enables Diverse Discovery in Coordination Chemistry
Journal of the American Chemical Society · 2023-01-17
Daniel J. Kowalski, Catriona M. MacGregor, De‐Liang Long, Nicola L. Bell, Leroy Cronin
Read original paper ↗ ·How to Accelerate R&D and Optimize Experiment Planning with Machine Learning and Data Science
CHIMIA International Journal for Chemistry · 2023-02-22
Daniel Pacheco Gutiérrez, Linnea M. Folkmann, Hermann Tribukait, Loı̈c M. Roch
Read original paper ↗ ·In Pursuit of the Exceptional: Research Directions for Machine Learning in Chemical and Materials Science
Journal of the American Chemical Society · 2023-09-27
Joshua Schrier, Alexander J. Norquist, Tonio Buonassisi, Jakoah Brgoch
Read original paper ↗ ·Role of multifidelity data in sequential active learning materials discovery campaigns: case study of electronic bandgap
Machine Learning Science and Technology · 2023-12-01
Ryan M. Jacobs, Philip E. Goins, Dane D. Morgan
Read original paper ↗ ·Accelerated exploration of heterogeneous CO2 hydrogenation catalysts by Bayesian-optimized high-throughput and automated experimentation
Chem Catalysis · 2024-01-21
Adrián Ramírez, Erwin Lam, Daniel Pacheco Gutiérrez, Yuhui Hou, Hermann Tribukait, Loı̈c M. Roch, Christophe Copéret, Paco V. Laveille
Read original paper ↗ ·Unlocking a self-driving research workflow for perovskite photovoltaics
Matter · 2025-06-01
Lifang Xie, Yalan Zhang, Noah Peterkes, Xiao‐Fen Li, Yike Guo, Yuanyuan Zhou
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