A process-level perspective of the impact of molecular force fields on the computational screening of MOFs for carbon capture
- Conor Cleeton
- Felipe Lopes de Oliveira
- et al.
- 2023
- Energy and Environmental Science
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139 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
Full scale, microscopically resolved tomographies of sandstone and carbonate rocks augmented by experimental porosity and permeability values
- Matheus Esteves Ferreira
- Mariana Del Grande
- et al.
- 2023
- Scientific Data
An Integrated Modeling Platform For Screening CO2 Capture Materials
- Ashish Mhadeshwar
- Jayashree Kalyanaraman
- et al.
- 2023
- ISCRE 2023
A process-level perspective on the impact of molecular force fields on the computational screening of MOFs for carbon capture
- Conor Cleeton
- Felipe Lopes de Oliveira
- et al.
- 2023
- MEDPore 2023
CRAFTED - An exploratory database of simulated adsorption isotherms of metal-organic frameworks
- Felipe Lopes de Oliveira
- Conor Cleeton
- et al.
- 2023
- Scientific Data
Machine-Learning Potentials for Molecular Dynamics Simulations of CO2 Chemisorption and Diffusion in Mg-MOF-74
- Binquan Luan
- Bowen Zheng
- et al.
- 2023
- MRS Spring Meeting 2023
MDLab: AI frameworks for Carbon Capture and Battery Materials
- Bruce Elmegreen
- Hendrik Hamann
- et al.
- 2023
- ICR 2023
pyMSER - An open-source library for automatic equilibration detection in Monte Carlo simulations
- Felipe Lopes de Oliveira
- Rodrigo Neumann Barros Ferreira
- et al.
- 2023
- ACS Spring 2023
CRAFTED - An exploratory database of simulated adsorption isotherms of metal-organic frameworks
- Felipe Lopes de Oliveira
- Conor Cleeton
- et al.
- 2023
- ACS Spring 2023