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
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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
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 and experimental design of solvents for CO2 capture
- Flaviu Cipcigan
- James McDonagh
- et al.
- 2021
- ACS Fall 2021
Accelerating the development of new polymeric materials: The convergance of automated experimentation, cloud computing, and predictive modeling
- Nathaniel Park
- Pedro Arrechea
- et al.
- 2021
- ACS Fall 2021
Large datasets for machine learning and reactor response curves for the ring opening polymerization of lactide
- Pedro Arrechea
- Nathaniel Park
- et al.
- 2021
- ACS Fall 2021
Automated in silico screening of nanoporous materials for enhanced CO2 capture
- 2021
- MRS Spring Meeting 2021
Simulating fluid flow with carbon dioxide in digital rock
- Mathias Steiner
- Rodrigo Ferreira
- et al.
- 2021
- APS March Meeting 2021
Small Data Enabled Prediction and Verification of Potential Polymer Membranes for CO2 Separation
- Hsianghan Hsu
- Ronaldo Giro
- et al.
- 2021
- APS March Meeting 2021
Automated in silico optimisation of nanoporous material morphology for enhanced carbon dioxide adsorption
- Rodrigo Ferreira
- Fausto Martelli
- et al.
- 2021
- APS March Meeting 2021