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Berend Smit

École Polytechnique Fédérale de Lausanne
University of California, Berkeley
University of Amsterdam

579

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SELFIES and the future of molecular string representations.

2022 CoRR
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Towards optimal photocatalytic hydrogen generation from water using pyrene-based metal-organic frameworks

2021 ChemRxiv
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Making molecules vibrate: Interactive web environment for the teaching of infrared spectroscopy

2021 ChemRxiv
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Buffered Coordination Modulation as a Means of Controlling Crystal Morphology and Molecular Diffusion in an Anisotropic Metal-Organic Framework.

2021 Journal of the American Chemical Society
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Diversifying databases of metal organic frameworks for high-throughput computational screening

2021 ChemRxiv
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A data-driven perspective on the colours of metal–organic frameworks

2021 Chemical Science
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Process-informed Design of Tailor-made Sorbent Materials for Energy Efficient Carbon Capture (PrISMa)

2021 Social Science Research Network
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Can we systematically screen millions of chemical structures for cost-effective carbon capture?

2021
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AiiDAlab – an ecosystem for developing, executing, and sharing scientific workflows

2021 Computational Materials Science
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Color-tunable and high quantum-yield luminescence from a biomolecule-inspired single species emitter of white light

2021 ChemRxiv
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