Small Data Enabled Prediction and Verification of Potential Polymer Membranes for CO2 Separation
- Hsianghan Hsu
- Ronaldo Giro
- et al.
- 2021
- APS March Meeting 2021
Publications
This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.
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30 results for Hsianghan Hsu
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
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
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