Publications

3493 results for Materials Discovery

Nano-Material Configuration Design with Deep Surrogate Langevin Dynamics
- - Thanh V. Nguyen
  - Youssef Mroueh
  - et al.
- 2020
- ICLR 2020
Exploring chemical space using natural language processing methodologies for drug discovery
- - Hakime Öztürk
  - Arzucan Özgür
  - et al.
- 2020
- Drug Discovery Today
Predicting retrosynthetic pathways using transformer-based models and a hyper-graph exploration strategy
- - Philippe Schwaller
  - Riccardo Petraglia
  - et al.
- 2020
- Chemical Science
Multi-label patent categorization with non-local attention-based graph convolutional network
- - Pingjie Tang
  - Meng Jiang
  - et al.
- 2020
- AAAI 2020
Comparison of computational methods for the electrochemical stability window of solid-state electrolyte materials
- - Tobias Binninger
  - Aris Marcolongo
  - et al.
- 2020
- Journal of Materials Chemistry A
Molecular Hypergraph Grammar with Its Application to Molecular Optimization
- - Hiroshi Kajino
- 2019
- ICML 2019
Accelerating molecular discovery through data and physical sciences: Applications to peptide-membrane interactions
- - Flaviu Cipcigan
  - Anna Paola Carrieri
  - et al.
- 2018
- Journal of Chemical Physics
CMP Challenges for Advanced Technology Nodes
- - John H Zhang
  - Haigou Huang
  - et al.
- 2017
- MRS Advances
Simplified formation process for Cu₂ZnSnS₄-based solar cells
- - Dominik M. Berg
  - Alexandre Crossay
  - et al.
- 2014
- Thin Solid Films
Distinguishing mechanisms of morphological instabilities in phase change materials during switching
- - M.K. Santala
  - Simone Raoux
  - et al.
- 2014
- Thin Solid Films