Molecular diffusion enhanced performance evaluation of metal-organic frameworks for CO2 capture
- Rodrigo Neumann Barros Ferreira
- Yogesh Joshi
- et al.
- 2025
- ACS Fall 2025
Publications
17 results for Felipe Lopes de Oliveira
An Integrated Modeling Framework for Screening CO2 Capture Materials
- Yogesh Joshi
- Ashish Mhadeshwar
- et al.
- 2023
- AIChE 2023
Active learning enhanced screening of CO2 capture materials
- Anantha Sundaram
- Yogesh Joshi
- et al.
- 2023
- AIChE 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
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
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
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