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.

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Materials Discovery

Year

170 results for Materials Discovery

Data-Efficient Graph Grammar Learning for Molecular Generation
- - Minghao Guo
  - Veronika Thost
  - et al.
- 2022
- ICLR 2022
Computational Design and Validation of Polymer Membranes with high CO2 Permeability
- - Hsianghan Hsu
  - Ronaldo Giro
  - et al.
- 2022
- APS March Meeting 2022
Learn more about our Materials Discovery work
Topic
Fold2Seq: A Joint Sequence(1D)-Fold(3D) Embedding-based Generative Model for Protein Design
- - Yue Cao
  - Payel Das
  - et al.
- 2021
- ICML 2021
CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models
- - Vijil Chenthamarakshan
  - Payel Das
  - et al.
- 2020
- NeurIPS 2020
Molecular Hypergraph Grammar with Its Application to Molecular Optimization
- - Hiroshi Kajino
- 2019
- ICML 2019
Foundation Model for Material Science
- - Seiji Takeda
  - Akihiro Kishimoto
  - et al.
- 2023
- AAAI 2023
On the Write Schemes and Efficiency of FeFET 1T NOR Array for Embedded Nonvolatile Memory and Beyond
- - Y. Xiao
  - Y. Xu
  - et al.
- 2022
- IEDM 2022
New Phase-Change Materials by Atomic-Level Engineering the Dopants for Extremely Low Vth Drift at 85^oC and High Endurance 3D Crosspoint Memory
- - Michelle Cheng
  - Alexander Grun
  - et al.
- 2022
- IEDM 2022
A Data-driven Discovery Pipeline for Flue Gas Separation Homopolymer Membranes
- - Hsianghan Hsu
  - Matteo Manica
  - et al.
- 2022
- MRS Fall Meeting 2022
Going beyond High Throughput Screening towards AI in Accelerated Electrolyte Discovery
- - Vidushi Sharma
  - Maxwell Giammona
  - et al.
- 2022
- MRS Fall Meeting 2022