Artificial intelligence driven design of catalysts and materials for ring opening polymerization using a domain-specific language
- Nathaniel H. Park
- Matteo Manica
- et al.
- 2023
- Nature Communications
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12 results for Dmitry Yu. Zubarev
Radiolysis generates a complex organosynthetic chemical network
- Zachary R. Adam
- Albert C. Fahrenbach
- et al.
- 2021
- Scientific Reports
Diagnostics of Data-Driven Models: Uncertainty Quantification of PM7 Semi-Empirical Quantum Chemical Method
- James Oreluk
- Zhenyuan Liu
- et al.
- 2018
- Scientific Reports
Combinatorial Polyacrylamide Hydrogels for Preventing Biofouling on Implantable Biosensors
- Doreen Chan
- Jun-Chau Chien
- et al.
- 2022
- Advanced Materials
Expert-in-the-loop AI for Polymer Discovery
- Petar Ristoski
- Dmitry Yu. Zubarev
- et al.
- 2020
- CIKM 2020
Molecular Inverse-Design Platform for Material Industries
- Seiji Takeda
- Toshiyuki Hama
- et al.
- 2020
- KDD 2020
A recommender system for antimicrobial resistance
- Sarath Swaminathan
- Dmitry Yu. Zubarev
- et al.
- 2019
- BIBM 2019
Materials science literature-Patent relevance search: A heterogeneous network analysis approach
- Pingjie Tang
- Jed W. Pitera
- et al.
- 2017
- DSAA 2017
Quantum-centric supercomputing for materials science: A perspective on challenges and future directions
- Yuri Alexeev
- Maximilian Amsler
- et al.
- 2024
- Future Generation Computer Systems
MDLab: AI frameworks for carbon capture and battery materials
- Bruce Elmegreen
- Hendrik F. Hamann
- et al.
- 2023
- Frontiers in Environmental Science