Hierarchical Grammar-Induced Geometry for Data-Efficient Molecular Property Prediction
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- 2023
- ICML 2023
Conference paper
Publications
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Electrolyte permeability in plastic ice VII
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- Journal of Physical Chemistry B
PaperSelective epitaxy and metastable semiconductors
- 2023
- FAME 2023
Invited talkEnvisioning Generative AI Interaction for Collaborative Design
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- 2023
- DIS 2023
Workshop paperFull scale, microscopically resolved tomographies of sandstone and carbonate rocks augmented by experimental porosity and permeability values
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- 2023
- Scientific Data
PaperUnbiasing Retrosynthesis Language Models with Disconnection Prompts
- Amol Thakkar
- Alain Vaucher
- et al.
- 2023
- ACS Central Science
PaperEfficient Xe/Kr separation in fluorinated pillar-caged metal-organic frameworks
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- Lingyao Wang
- et al.
- 2023
- Microporous and Mesoporous Materials
PaperFoundation Model for Material Science
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- Akihiro Kishimoto
- et al.
- 2023
- AAAI 2023
Conference paperSilicon-Based 3D Microfluidics for Parallelization of Droplet Generation
- Diego Monserrat Lopez
- Philipp Rottmann
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- 2023
- Micromachines
PaperAnalysis of structural change across the liquid-liquid transition and the Widom line in supercooled Stillinger-Weber silicon
- Yagyik Goswami
- Fausto Martelli
- et al.
- 2023
- Journal of Physical Chemistry B
Paper