Quantum Informed Machine-Learning Potentials for Molecular Dynamics Simulations of CO2’s Chemisorption and Diffusion in Mg-MOF-74
- Bowen Zheng
- Felipe Lopes Oliveira
- et al.
- 2023
- ACS Nano
Publications
84 results for Rodrigo Neumann Barros Ferreira
Quantum informed machine-learning potentials for modeling CO2 adsorption in metal organic frameworks
- Binquan Luan
- Bowen Zheng
- et al.
- 2023
- APS March Meeting 2023
Extensive Attention Mechanisms in Graph Neural Networks for Materials Discovery
- Guojing Cong
- Talia Ben Naim
- et al.
- 2022
- ICDM 2022
New-Generation Anion-Pillared Metal–Organic Frameworks with Customized Cages for Highly Efficient CO2 Capture
- Yongqi Hu
- Yunjia Jiang
- et al.
- 2023
- Advanced Functional Materials
Screening Hoffman-type metal organic frameworks for efficient C2H2/CO2 separation
- Wushuang Lou
- Jiahao Li
- et al.
- 2023
- CEJ
A method for near-perfect gas separation in two interconnected streams
- Bruce Elmegreen
- Binquan Luan
- et al.
- 2023
- Journal of Applied Physics
Automated Artificial-intelligence Inverse Design of Polymer Membranes for CO2 Capture and Separation
- Ronaldo Giro
- Hsianghan Hsu
- et al.
- 2022
- MRS Fall Meeting 2022
AI Toolkit for Accelerated Nanoporous Material Discovery
- Jonathan Booth
- Daniel Cunnington
- et al.
- 2022
- MRS Fall Meeting 2022
Cloud-based pore-scale simulator for studying carbon dioxide flow in digital rocks
- Jaione Tirapu Azpiroz
- Rodrigo Neumann Barros Ferreira
- et al.
- 2022
- GHGT 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