COOPER GROUP PUBLICATIONS

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RECENT KEY PUBLICATIONS

Functional materials by design

• • Accelerated synthesis and discovery of covalent organic framework photocatalysts for hydrogen peroxide production, J. Am. Chem. Soc., 2022, 144, 9902–9909
  • Linear conjugated polymers for solar-driven hydrogen peroxide production: The importance of catalyst stability,       J. Am. Chem. Soc., 2021, 143, 19287–19293
  • Photocatalytic overall water splitting under visible light enabled by a particulate conjugated polymer loaded with palladium and iridium,  Angewandte Chemie International Edition, 2022, 61, e202201299
  • Combining machine learning and high-throughput experimentation to discover photocatalytically active organic molecules, Chem. Sci., 2021, 12, 10742–10754
  • Packing-induced selectivity switching in molecular nanoparticle photocatalysts for hydrogen and hydrogen peroxide production, Nature Nanotechnology, 2023, 18, 307–315

Digital chemistry

• • Autonomous mobile robots for exploratory synthetic chemistry, Nature, 2024, 635, 890–897
  • Modular, multi-robot integration of laboratories: an autonomous workflow for solid-state chemistry, Chem. Sci., 2024, 15, 2456–2463
  • Autonomous biomimetic solid dispensing using a dual-arm robotic manipulator, Digital Discovery, 2023, 2, 1733–1744
  • Go with the flow: deep learning methods for autonomous viscosity estimations, Digital Discovery, 2023, 2, 1540–1547
  • A mobile robotic chemist, Nature, 2020, 583, 237–241

Computational and data-driven materials design

• • A universal foundation model for transfer learning in molecular crystals, Chem. Sci., 2025, 16, 12844–12859
  • Language-Based Bayesian Optimization Research Assistant (BORA), preprint at  arXiv:2308.11787v3[cs.LG]
  • HypBO: Accelerating black-box scientific experiments using experts' hypotheses, DOI:10.24963/ijcai.2024/429, Conference: Thirty-Third International Joint Conference on Artificial Intelligence {IJCAI-24}
  • Fine-tuning GPT-3 for machine learning electronic and functional properties of organic molecules, Chem. Sci., 2024, 15, 500–510

Computationally-guided crystalline materials discovery

• • Porous isoreticular non-metal organic frameworks, J. Am. Chem. Soc., 2025, 147, 15429–15434

• • Nonmetal Organic Frameworks Exhibit High Proton Conductivity, Nature, 2024, 630, 102–108

• • Computationally guided synthesis of a hierarchical [4[2+3]+6] porous organic ‘cage of cages’, Nature Synthesis, 2024, 3, 825–834
  • Soft hydrogen-bonded organic frameworks constructed using a flexible organic cage hinge, J. Am. Chem. Soc., 2023, 145, 23352–23360
  • Analogy powered by prediction and structural invariants: Computationally-led discovery of a mesoporous hydrogen-bonded organic cage crystal, J. Am. Chem. Soc., 2022, 144, 9893–9901