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Efrem Daniel Braun

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Related publications (10)

Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.

Generating carbon schwarzites via zeolite-templating

Berend Smit, Seyedmohamad Moosavi, Senja Dominique Barthel, Efrem Daniel Braun, Rocio Mercado, Yongjin Lee

National Academy of Sciences2018

Combined Nuclear Magnetic Resonance and Molecular Dynamics Study of Methane Adsorption in M-2(dobdc) Metal-Organic Frameworks

Berend Smit, Efrem Daniel Braun, Rocio Mercado, Amber Kashan Mace

We examine the diffusion of methane in the metal organic frameworks M-2(dobdc) (M = Mg, Ni, Zn; dobdc(4-) = 2,5-diwddo-1,4-benzenedicarboxylate) as a function of methane loading through a combination of nuclear magnetic resonance and molecular dynamics sim ...

2019

Anomalous Effects of Velocity Rescaling Algorithms: The Flying Ice Cube Effect Revisited

Berend Smit, Seyedmohamad Moosavi, Efrem Daniel Braun

The flying ice cube effect is a molecular dynamics simulation artifact in which the use of velocity rescaling thermostats sometimes causes violation of the equipartition theorem, affecting both structural and dynamic properties. The reason for this artifac ...

2018