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- 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
- Critical analysis of the accuracy of models predicting or extracting liquid structure information
- 2013
- Oxygen diffusion water, alkanes, and lipid bilayers
- On the thermodynamics of framework breathing: a free energy model for gas adsorption in MIL-53