Accelerating materials discovery for carbon dioxide capture, conversion and storage
- Mathias Steiner
- 2022
- ACS Spring 2022
Conference paper
Publications
26944 results for Science
Model for simulations of the CnEm nonionic surfactant family derived from recent experimental results
- William Swope
- Michael Johnston
- et al.
- 2022
- ACS Spring 2022
Conference paperDevelopment and use of a software platform applied towards the automated synthesis of carbonate monomers and machine learning applications
- Pedro Arrechea
- James Hedrick
- et al.
- 2022
- ACS Spring 2022
PosterMolecular transformer-aided biocatalysed synthesis planning
- Daniel Probst
- Matteo Manica
- et al.
- 2022
- ACS Spring 2022
PosterHuman-in-the-loop for a Disconnection Aware Retrosynthesis
- Andrea Antonia Byekwaso
- Alain Vaucher
- et al.
- 2022
- ACS Spring 2022
Conference paperIdentification of enzymatic active sites with unsupervised language modelling
- Loic Kwate Dassi
- Matteo Manica
- et al.
- 2022
- ACS Spring 2022
Conference paperActive site sequence representation of human kinases outperforms full sequence for affinity prediction and inhibitor generation: 3D effects in a 1D model
- Jannis Born
- Tien Huynh
- et al.
- 2022
- ACS Spring 2022
PosterSignatures of sluggish dynamics and local structural ordering during ice nucleation
- Fausto Martelli
- Jeremy Palmer
- 2022
- The Journal of Chemical Physics
Paper3 + 3 makes the ring
- Diego Peña
- Leo Gross
- 2022
- Nat. Synth.
PaperSimulating supercritical carbon dioxide flow and trapping in microscopic rock pore networks
- Mathias Steiner
- Jaione Tirapu Azpiroz
- et al.
- 2022
- APS March Meeting 2022
Short paper