MDLab: AI frameworks for Carbon Capture and Battery Materials
- Bruce Elmegreen
- Hendrik Hamann
- et al.
- 2025
- Frontiers in Environmental Science
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22 results for Binquan Luan
Simulating CO2 diffusivity in rigid and flexible Mg-MOF-74 with machine-learning force fields
- Bowen Zheng
- Grace Gu
- et al.
- 2024
- APL Mach. Learn.
Machine-Learning Potentials for Simulating CO2 Chemisorption
- Binquan Luan
- Carine Dos Santos
- et al.
- 2024
- APS March Meeting 2024
An Integrated Modeling Framework for Screening CO2 Capture Materials
- Yogesh Joshi
- Ashish Mhadeshwar
- et al.
- 2023
- AIChE 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
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
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
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