MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network
- Akihiro Kishimoto
- Hiroshi Kajino
- et al.
- 2023
- NeurIPS 2023
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45 results for Seiji Takeda
AI powered, automated discovery of polymer membranes for carbon capture
- Ronaldo Giro
- Hsianghan Hsu
- et al.
- 2023
- npj Computational Materials
Accelerating material design with the generative toolkit for scientific discovery
- Matteo Manica
- Jannis Born
- et al.
- 2023
- npj Computational Materials
Accelerating materials discovery using artificial intelligence, high performance computing and robotics
- Edward O. Pyzer-Knapp
- Jed W. Pitera
- et al.
- 2022
- npj Computational Materials
Molecular Descriptors Accounting for Intramolecular Interactions and Application to Chemical Property Prediction
- Lisa Hamada
- Seiji Takeda
- et al.
- 2022
- ACS Fall 2022
Evaluating Classical Molecular Dynamics Methods for the Validation of Carbon Dioxide Separation Performance in Polymer Membranes
- Ronaldo Giro
- Hsianghan Hsu
- et al.
- 2021
- MRS Fall Meeting 2021
Accelerate Polymer Membrane Discovery for CO2 Separation with Graph-Based Generative Model and Molecular Dynamics Simulation
- Hsianghan Hsu
- Akihiro Kishimoto
- et al.
- 2021
- MRS Fall Meeting 2021
Molecular Descriptors Based on Global Structure Information of Substructures
- Lisa Hamada
- Seiji Takeda
- et al.
- 2022
- JSAI 2022
Molecular Inverse-Design Platform for Material Industries
- Seiji Takeda
- Toshiyuki Hama
- et al.
- 2020
- KDD 2020
Time delay reservoir computing with VCSEL
- Jean Benoit Héroux
- Gouhei Tanaka
- et al.
- 2020
- SPIE OPTO 2020