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

94 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
Human-in-the-loop for a Disconnection Aware Retrosynthesis
- - Andrea Antonia Byekwaso
  - Alain Vaucher
  - et al.
- 2022
- ACS Spring 2022
Identification of enzymatic active sites with unsupervised language modelling
- - Loic Kwate Dassi
  - Matteo Manica
  - et al.
- 2022
- ACS Spring 2022
Current state of Embedding techniques for Quantum Computing
- - Barbara Jones
- 2022
- APS March Meeting 2022
Electromigration and Line R of Graphene Capped Cu Dual Damascene Interconnect
- - Takeshi Nogami
  - Son Nguyen
  - et al.
- 2021
- IEDM 2021
Realizing a composable enterprise microservices fabric with ai-accelerated material discovery api services
- - Rong Chang
  - Kumar Bhaskaran
  - et al.
- 2020
- CLOUD 2020