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- 2018
- The importance of cell shape sampling to accurately predict flexibility in metal-organic frameworks
- 2017
- Correction to “Shape-Selective Diffusion of Olefins in 8-Ring Solid Acid Microporous Zeolites”
- Position-dependent diffusion tensors in anisotropic media from simulation : oxygen transport in and through membranes
- 2015
- Mechanical properties from periodic plane wave quantum mechanical codes: the challenge of the flexible nanoporous MIL-47(V) framework
- Semi-analytical mean-field model for predicting breathing in metal–organic frameworks
- Shape-selective diffusion of olefins in 8-ring solid acid microporous zeolites
- A comparison of barostats for the mechanical characterization of metal-organic frameworks
- Normal mode analysis of macromolecular systems with the mobile block Hessian method
- 2014
- Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics
- Tailoring metal-organic frameworks for adsorption applications