A transformer based large-scale molecular representation model
- 2023
- MRS Fall Meeting 2023
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24 results for Akihiro Kishimoto
Designing Machine Learning Pipeline Toolkit for AutoML Surrogate Modeling Optimization
- Paulito Palmes
- Akihiro Kishimoto
- et al.
- 2023
- JuliaCon 2023
Automated Artificial-intelligence Inverse Design of Polymer Membranes for CO2 Capture and Separation
- Ronaldo Giro
- Hsianghan Hsu
- et al.
- 2022
- MRS Fall Meeting 2022
A Data-driven Discovery Pipeline for Flue Gas Separation Homopolymer Membranes
- Hsianghan Hsu
- Matteo Manica
- et al.
- 2022
- MRS Fall Meeting 2022
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- MRS Fall Meeting 2022
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- ACS Fall 2022
Molecular Descriptors Accounting for Intramolecular Interactions and Application to Chemical Property Prediction
- Lisa Hamada
- Seiji Takeda
- et al.
- 2022
- ACS Fall 2022
Molecular Descriptors Based on Global Structure Information of Substructures
- Lisa Hamada
- Seiji Takeda
- et al.
- 2022
- JSAI 2022
Computational Design and Validation of Polymer Membranes with high CO2 Permeability
- Hsianghan Hsu
- Ronaldo Giro
- et al.
- 2022
- APS March Meeting 2022
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