A process-level perspective of the impact of molecular force fields on the computational screening of MOFs for carbon capture
- Conor Cleeton
- Felipe Lopes de Oliveira
- et al.
- 2023
- Energy and Environmental Science
Publications
3510 results for Materials Discovery
AI powered, automated discovery of polymer membranes for carbon capture
- Ronaldo Giro
- Hsianghan Hsu
- et al.
- 2023
- npj Computational Materials
Unifying Molecular and Textual Representations via Multi-task Language Modelling
- Dimitrios Christofidellis
- Giorgio Giannone
- 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
Hierarchical Grammar-Induced Geometry for Data-Efficient Molecular Property Prediction
- Minghao Guo
- Veronika Thost
- et al.
- 2023
- ICML 2023
Electrolyte permeability in plastic ice VII
- Fausto Martelli
- 2023
- Journal of Physical Chemistry B
Selective epitaxy and metastable semiconductors
- 2023
- FAME 2023
Envisioning Generative AI Interaction for Collaborative Design
- 2023
- DIS 2023
Full scale, microscopically resolved tomographies of sandstone and carbonate rocks augmented by experimental porosity and permeability values
- Matheus Esteves Ferreira
- Mariana Del Grande
- et al.
- 2023
- Scientific Data
Unbiasing Retrosynthesis Language Models with Disconnection Prompts
- Amol Thakkar
- Alain Vaucher
- et al.
- 2023
- ACS Central Science