A process-level perspective on the impact of molecular force fields on the computational screening of MOFs for carbon capture
- Conor Cleeton
- Felipe Lopes de Oliveira
- et al.
- 2023
- MEDPore 2023
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124 results for Mathias B Steiner
pyMSER - An open-source library for automatic equilibration detection in molecular simulations
- Felipe Lopes de Oliveira
- Binquan Luan
- et al.
- 2024
- JCTC
Simulating CO2 diffusivity in rigid and flexible Mg-MOF-74 with machine-learning force fields
- Bowen Zheng
- Grace Gu
- et al.
- 2024
- APL Mach. Learn.
A process-level perspective of the impact of molecular force fields on the computational screening of MOFs for carbon capture
- Conor Cleeton
- Felipe Lopes de Oliveira
- et al.
- 2023
- Energy and Environmental Science
Full scale, microscopically resolved tomographies of sandstone and carbonate rocks augmented by experimental porosity and permeability values
- Matheus Esteves Ferreira
- Mariana Del Grande
- et al.
- 2023
- Scientific Data
CRAFTED - An exploratory database of simulated adsorption isotherms of metal-organic frameworks
- Felipe Lopes de Oliveira
- Conor Cleeton
- et al.
- 2023
- Scientific Data
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
Micro-computed tomography of sandstone rocks: Raw, Filtered and Segmented datasets
- Everton Lucas-Oliveira
- Mariane Barsi-Andreeta
- et al.
- 2022
- Data in Brief
A Platform for Analysis of Nanoscale Liquids with an Array of Sensor Devices Based on Two-Dimensional Material
- Michael Engel
- Peter William Bryant
- et al.
- 2017
- Nano Letters
A Flexible Dihydrogen-Bonded Organic Framework with SelectiveGas Adsorption Properties
- Yanbin Yuan
- Lingyao Wang
- et al.
- 2024
- Chemistry of Materials