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

232 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
Designing an AI assistant for chemical discovery
- - Siya Kunde
  - Stephanie Houde
  - et al.
- 2023
- ACS Fall 2023
Unifying Molecular and Textual Representations via Multi-task Language Modelling
- - Dimitrios Christofidellis
  - Giorgio Giannone
  - et al.
- 2023
- ICML 2023
Hierarchical Grammar-Induced Geometry for Data-Efficient Molecular Property Prediction
- - Minghao Guo
  - Veronika Thost
  - et al.
- 2023
- ICML 2023
Biases in Evaluation of Molecular Optimization Methods and Bias Reduction Strategies
- - Hiroshi Kajino
  - Kohei Miyaguchi
  - et al.
- 2023
- ICML 2023
Silicon photonic co-packaging: Adhesive dispense challenge and control
- - Paul Gond-Charton
  - Sebastien Gouin
  - et al.
- 2023
- ECTC 2023