Data-Efficient Graph Grammar Learning for Molecular Generation
- 2022
- ICLR 2022
Publications
This is our catalog of recent publications authored by IBM researchers, in collaboration with the global research community. We’re currently adding our back catalog of more than 110,000 publications. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.
135 results for Materials Discovery
Computational Design and Validation of Polymer Membranes with high CO2 Permeability
- 2022
- APS March Meeting 2022
Fold2Seq: A Joint Sequence(1D)-Fold(3D) Embedding-based Generative Model for Protein Design
- 2021
- ICML 2021
CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models
- 2020
- NeurIPS 2020
Molecular Hypergraph Grammar with Its Application to Molecular Optimization
- 2019
- ICML 2019
On the Write Schemes and Efficiency of FeFET 1T NOR Array for Embedded Nonvolatile Memory and Beyond
- 2022
- IEDM 2022
New Phase-Change Materials by Atomic-Level Engineering the Dopants for Extremely Low Vth Drift at 85oC and High Endurance 3D Crosspoint Memory
- 2022
- IEDM 2022
A Data-driven Discovery Pipeline for Flue Gas Separation Homopolymer Membranes
- 2022
- MRS Fall Meeting 2022
Going beyond High Throughput Screening towards AI in Accelerated Electrolyte Discovery
- 2022
- MRS Fall Meeting 2022
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- 2022
- ACS Fall 2022