CRAFTED - An exploratory database of simulated adsorption isotherms of metal-organic frameworks
- Felipe Lopes de Oliveira
- Conor Cleeton
- et al.
- 2023
- ACS Spring 2023
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15 results for Felipe Lopes de Oliveira
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
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
Quantum informed machine-learning potentials for modeling CO2 adsorption in metal organic frameworks
- Binquan Luan
- Bowen Zheng
- et al.
- 2023
- APS March Meeting 2023
Computational screening of solid sorbent materials for CO2 capture from molecular to process level
- Rodrigo Neumann Barros Ferreira
- Binquan Luan
- et al.
- 2023
- ACS Spring 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
Effect of Partial Charges on the Data-Driven Analytics of CO2 Adsorption Metrics
- Breanndan O'Conchuir
- Binquan Luan
- et al.
- 2022
- ACS Fall 2022
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
Cloud-Based, High-Throughput, End-To-End Computational Screening of Solid Sorbent Materials for Carbon Capture
- Rodrigo Neumann Barros Ferreira
- Breanndan O'Conchuir
- et al.
- 2022
- GHGT 2022