Machine-Learning Potentials for Simulating CO2 Chemisorption
- Binquan Luan
- Carine Dos Santos
- et al.
- 2024
- APS March Meeting 2024
Publications
75 results for Rodrigo Neumann Barros Ferreira
Discovery of Novel Reticular Materials for Carbon Dioxide Capture using GFlowNets
- Flaviu Cipcigan
- Jonathan Booth
- et al.
- 2023
- NeurIPS 2023
Symbolic Learning for Material Discovery
- Daniel Cunnington
- Flaviu Cipcigan
- et al.
- 2023
- NeurIPS 2023
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
MDLab: AI frameworks for carbon capture and battery materials
- Bruce Elmegreen
- Hendrik F. Hamann
- et al.
- 2023
- Frontiers in Environmental Science
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
Geometry evolution of porous media due to coupled reactive-transport processes within capillary networks
- David Alejandro Lazo Vasquez
- Jaione Tirapu Azpiroz
- et al.
- 2023
- ACS Fall 2023
Harnessing Quantum Computing for Direct Air Capture Materials Discovery
- 2023
- Paraty Quantum Information School and Workshop 2023