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
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3 results for Felipe Lopes Oliveira
pyMSER─An Open-Source Library for Automatic Equilibration Detection in Molecular Simulations
- Felipe L. Oliveira
- Binquan Luan
- et al.
- 2024
- JCTC
MDLab: AI frameworks for carbon capture and battery materials
- Bruce Elmegreen
- Hendrik F. Hamann
- et al.
- 2023
- Frontiers in Environmental Science