The role of partial charges in data-driven analytics of gas adsorption simulations
- Binquan Luan
- Rodrigo Neumann Barros Ferreira
- et al.
- 2022
- APS March Meeting 2022
Publications
142 results for Mathias B Steiner
Computational Design and Validation of Polymer Membranes with high CO2 Permeability
- Hsianghan Hsu
- Ronaldo Giro
- et al.
- 2022
- APS March Meeting 2022
Advanced optical on-chip analysis of fluid flow for applications in carbon dioxide trapping
- Jaione Tirapu-Azpiroz
- Matheus Esteves Ferreira
- et al.
- 2022
- SPIE BiOS 2022
Micro-computed tomography of sandstone rocks: Raw, Filtered and Segmented datasets
- Everton Lucas-Oliveira
- Mariane Barsi-Andreeta
- et al.
- 2022
- Data in Brief
Simulating fluid flow at pore scale with carbon dioxide in digital rock
- Jaione Tirapu Azpiroz
- Rodrigo Neumann Barros Ferreira
- et al.
- 2021
- MRS Fall Meeting 2021
Automated AI-driven screening of nanoporous materials for enhanced carbon dioxide adsorption
- Breanndan O'Conchuir
- Rodrigo Neumann Barros Ferreira
- et al.
- 2021
- MRS Fall Meeting 2021
Evaluating Classical Molecular Dynamics Methods for the Validation of Carbon Dioxide Separation Performance in Polymer Membranes
- Ronaldo Giro
- Hsianghan Hsu
- et al.
- 2021
- MRS Fall Meeting 2021
Accelerate Polymer Membrane Discovery for CO2 Separation with Graph-Based Generative Model and Molecular Dynamics Simulation
- Hsianghan Hsu
- Akihiro Kishimoto
- et al.
- 2021
- MRS Fall Meeting 2021
Computational and experimental design of solvents for CO2 capture
- Flaviu Cipcigan
- James McDonagh
- et al.
- 2021
- ACS Fall 2021
High accuracy capillary network representation in digital rock reveals permeability scaling functions
- Rodrigo F. Neumann
- Mariane Barsi-Andreeta
- et al.
- 2021
- Scientific Reports