Predicting polymerization reactions via transfer learning using chemical language models
- Brenda S. Ferrari
- Matteo Manica
- et al.
- 2024
- npj Computational Materials
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132 results for Mathias B Steiner
AI powered, automated discovery of polymer membranes for carbon capture
- Ronaldo Giro
- Hsianghan Hsu
- et al.
- 2023
- npj Computational Materials
High accuracy capillary network representation in digital rock reveals permeability scaling functions
- Rodrigo F. Neumann
- Mariane Barsi-Andreeta
- et al.
- 2021
- Scientific Reports
Graphene-enabled and directed nanomaterial placement from solution for large-scale device integration
- Michael Engel
- Damon B. Farmer
- et al.
- 2018
- Nature Communications
Adsorption energy as a metric for wettability at the nanoscale
- R. Giro
- Peter William Bryant
- et al.
- 2017
- Scientific Reports
Light-matter interaction in a microcavity-controlled graphene transistor
- Michael Engel
- Mathias Steiner
- et al.
- 2012
- Nature Communications
Predicting polymerization reactions via transfer learning using chemical language models
- Brenda de Souza Ferrari
- Matteo Manica
- et al.
- 2024
- npj Computational Materials
Multi-modal and multi-scale screening of solid sorbent materials for gas capture: The importance of adsorption kinetics
- Rodrigo Neumann Barros Ferreira
- Felipe Lopes de Oliveira
- et al.
- 2023
- ACS Fall 2023
Exploring the impact of molecular force fields on the computational screening of COFs for carbon capture
- Felipe Lopes de Oliveira
- Conor Cleeton
- et al.
- 2023
- ACS Fall 2023
Quantum Informed Machine-Learning Potentials for Molecular Dynamics Simulations of CO2’s Chemisorption and Diffusion in Mg-MOF-74
- Bowen Zheng
- Felipe Lopes Oliveira
- et al.
- 2023
- ACS Nano