A Data-driven Discovery Pipeline for Flue Gas Separation Homopolymer Membranes
- Hsianghan Hsu
- Matteo Manica
- et al.
- 2022
- MRS Fall Meeting 2022
Publications
This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.
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CRAFTED - An exploratory database of simulated adsorption isotherms of metal-organic frameworks
- Felipe Lopes de Oliveira
- Conor Cleeton
- et al.
- 2023
- ACS Spring 2023
Machine-Learning Potentials for Simulating CO2 Chemisorption
- Binquan Luan
- Carine Dos Santos
- et al.
- 2024
- APS March Meeting 2024
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
Ubiquitous Stick-Slip Motions: from Tribology, Biosensing to Carbon Capture
- Binquan Luan
- 2023
- APS March Meeting 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
Automated Artificial-intelligence Inverse Design of Polymer Membranes for CO2 Capture and Separation
- Ronaldo Giro
- Hsianghan Hsu
- et al.
- 2022
- MRS Fall Meeting 2022
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