Reinforcement Learning with Logical Action-Aware Features for Polymer Discovery
- Sarathkrishna Swaminathan
- Dmitry Zubarev
- et al.
- 2021
- ICML 2021
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51 results for Dmitry Zubarev
MoLMamba: A Large State-Space-based Foundation Model for Chemistry
- Eduardo Almeida Soares
- Victor Shirasuna
- et al.
- 2024
- ACS Fall 2024
Accelerated Discovery of Novel Solvents for CO2 Capture
- Benjamin Wunsch
- Stacey Gifford
- et al.
- 2021
- MRS Fall Meeting 2021
Automating and Accelerating Scientific Discovery – Continuous and Discontinuous Experimentation Setups for Polymer Research and High-Quality Dataset Generation
- Tim Erdmann
- Nathaniel Park
- et al.
- 2023
- MaRDA 2023
ChemChat | Conversational Expert Assistant in Material Science and Data Visualization
- Tim Erdmann
- Stefan Zecevic
- et al.
- 2024
- Humboldt Colloquium US 2024
Transfer Learning Enabled Deep Learning Model for the Prediction of Battery Performance from Electrolyte Formulations
- 2022
- ECS Meeting 2022
Integrating Chemical Language and Physicochemical Features for Enhanced Molecular Property Prediction with Multimodal Language Models
- 2023
- KDD 2023
Chemical Space Analysis and Property Prediction for Carbon Capture Amine molecules
- James Mcdonagh
- Stamatia Zavitsanou
- et al.
- 2024
- Digital Discovery
Formulation Graphs for Mapping Structure-Composition of Battery Electrolytes to Device Performance
- 2023
- J. Chem. Inf. Model.
Chemical space analysis and property prediction for carbon capture amine molecules
- James McDonagh
- Stamatia Zavitsanou
- et al.
- 2022
- ChemRxiv