Accelerating materials discovery using artificial intelligence, high performance computing and robotics
- Edward O. Pyzer-Knapp
- Jed W. Pitera
- et al.
- 2022
- npj Computational Materials
Publications
55 results for Seiji Takeda
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
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
AI assisted design and synthesis of materials with targeted properties
- Victoria Piunova
- Dmitry Zubarev
- et al.
- 2021
- ACS Fall 2021
Small Data Enabled Prediction and Verification of Potential Polymer Membranes for CO2 Separation
- Hsianghan Hsu
- Ronaldo Giro
- et al.
- 2021
- APS March Meeting 2021
Automatic Cyclometalated Iridium(III) Complex Design Using a Data-Driven Fragmentation Representation of Molecules
- Hsianghan Hsu
- Seiji Takeda
- et al.
- 2020
- MRS Fall Meeting 2020
Accessing Creativity and Institutional Knowledge of Polymer Chemists via Expert-in-the-Loop AI—Case of Acrylic Polymer Design
- Victoria Piunova
- Dmitry Zubarev
- et al.
- 2020
- MRS Fall Meeting 2020
Platform for Polymer Inverse-Design by Graph Generative Algorithms
- Seiji Takeda
- Toshiyuki Hama
- et al.
- 2020
- MRS Fall Meeting 2020
Realizing a composable enterprise microservices fabric with ai-accelerated material discovery api services
- Rong Chang
- Kumar Bhaskaran
- et al.
- 2020
- CLOUD 2020