Surface reaction calculations with quantum computers for battery materials
- Marco Antonio Guimaraes Auad Barroca
- Rodrigo Neumann Barros Ferreira
- et al.
- 2024
- ACS Fall 2024
Talk
Publications
155 results for Mathias Steiner
AI-Assisted Raman Spectral Peak Label Assignment
- Ademir Ferreira Da Silva
- Matheus Esteves Ferreira
- et al.
- 2024
- ACS Fall 2024
TalkPredicting polymerization reactions via transfer learning using chemical language models
- Ronaldo Giro
- Brenda S. Ferrari
- et al.
- 2024
- ACS Fall 2024
TalkSelecting Covalent Organic Frameworks for Gas Capture using micro-Raman Spectroscopy
- Geisa Lima
- Matheus Esteves Ferreira
- et al.
- 2024
- ACS Fall 2024
TalkIn-situ characterization of metal-organic frameworks: A combined DFT and micro-Raman spectroscopy approach
- Matheus Esteves Ferreira
- Geisa Lima
- et al.
- 2024
- ACS Fall 2024
TalkSimulating Carbon Dioxide Injection, Trapping, and Storage in Digital Rock
- Mathias Steiner
- 2024
- Interpore Brazil 2024
KeynoteA Flexible Dihydrogen-Bonded Organic Framework with Selective Gas Adsorption Properties
- Yanbin Yuan
- Lingyao Wang
- et al.
- 2024
- Chemistry of Materials
PaperPore-scale flow simulator for studying carbon dioxide capillary trapping under varying wettability scenarios
- Jaione Tirapu Azpiroz
- Rodrigo Neumann Barros Ferreira
- et al.
- 2024
- LAMIC 2024
Invited talkEnhanced carbon dioxide drainage observed in digital rock under intermediate wetting conditions
- Jaione Tirapu Azpiroz
- Ronaldo Giro
- et al.
- 2024
- Scientific Reports
PaperPredicting polymerization reactions via transfer learning using chemical language models
- Brenda S. Ferrari
- Matteo Manica
- et al.
- 2024
- npj Computational Materials
Paper