Studying the physics of carbon dioxide storage at microscopic scale with simulations and experiments
- Matheus Esteves Ferreira
- Jaione Tirapu Azpiroz
- et al.
- 2022
- ACS Fall 2022
Conference paper
Publications
24858 results for Exploratory Science
Neuro-symbolic reinforcement learning for polymer discovery
- 2022
- ACS Fall 2022
Conference paperAccelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- ACS Fall 2022
Conference paperImprovements in accuracy of quantum algorithms without increasing the footprint on the quantum computer
- Julia Rice
- Mario Motta
- et al.
- 2022
- ACS Fall 2022
Conference paperEffect of Partial Charges on the Data-Driven Analytics of CO2 Adsorption Metrics
- Breanndan O'Conchuir
- Binquan Luan
- et al.
- 2022
- ACS Fall 2022
Short paperMolecular Descriptors Accounting for Intramolecular Interactions and Application to Chemical Property Prediction
- Lisa Hamada
- Seiji Takeda
- et al.
- 2022
- ACS Fall 2022
Short paperPredicting HLA-peptide complex immunogenicity with molecular dynamics and graph convolutional deep learning
- 2022
- ACS Fall 2022
Invited talkComparing active site sequence representations for kinase-ligand affinity prediction
- Jannis Born
- Tien Huynh
- et al.
- 2022
- ACS Fall 2022
Invited talkCASTELO — a combined machine learning and molecular modeling for drug discovery and protein-protein interaction optimization
- 2022
- ACS Fall 2022
TalkIdentification of enzymatic active sites with unsupervised language modelling
- Loic Kwate Dassi
- Matteo Manica
- et al.
- 2022
- ACS Fall 2022
Talk