Seyedmohamad Moosavi

Cette personne n’est plus à l’EPFL

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Publications associées (32)

Data-driven design of metal-organic frameworks for wet flue gas CO2 capture

Seyedmohamad Moosavi, Berend Smit, Kyriakos Stylianou, Peter George Boyd, Andrzej Gladysiak, Christopher Patrick Ireland, Arunraj Chidambaram, Pascal Alexander Schouwink, Enrique Garcia Diez, Susana Garcia Lopez

Limiting the increase of CO2 in the atmosphere is one of the largest challenges of our generation(1). Because carbon capture and storage is one of the few viable technologies that can mitigate current CO2 emissions(2), much effort is focused on developing ...

2019

Towards an experimentally-accessible library of carbon schwarzites via zeolite-templating

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

AMER CHEMICAL SOC2018

Generating carbon schwarzites via zeolite-templating

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

National Academy of Sciences2018

High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites

Kathryn Hess Bellwald, Seyedmohamad Moosavi, Berend Smit, Pawel Tadeusz Dlotko, Yongjin Lee, Senja Dominique Barthel

2018

Improving the Mechanical Stability of Metal-Organic Frameworks Using Chemical Caryatids

Seyedmohamad Moosavi, Berend Smit, Peter George Boyd

2018

Biporous Metal-Organic Framework with Tunable CO2/CH4 Separation Performance Facilitated by Intrinsic Flexibility

Seyedmohamad Moosavi, Berend Smit, Kyriakos Stylianou, Daniele Ongari, Peter George Boyd, Andrzej Gladysiak, Arunraj Chidambaram, Kathryn Suzanne Deeg, Kaili Yee Ordiz

In this work, we report the synthesis of SION-8, a novel metal-organic framework (MOF) based on Ca(II) and a tetracarboxylate ligand TBAPy(4-) endowed with two chemically distinct types of pores characterized by their hydrophobic and hydrophilic properties ...

2018

Anomalous effects of velocity rescaling algorithms: The flying ice cube effect revisted

Seyedmohamad Moosavi, Berend Smit, Efrem Daniel Braun

AMER CHEMICAL SOC2018

Rapid, Selective Heavy Metal Removal from Water by a Metal-Organic Framework/Polydopamine Composite

Emad Oveisi, Seyedmohamad Moosavi, Daniel Teav Sun, Wendy Lee Queen, Davide Tiana, Li Peng

Drinking water contamination with heavy metals, particularly lead, is a persistent problem worldwide with grave public health consequences. Existing purification methods often cannot address this problem quickly and economically. Here we report a cheap, wa ...

2018

Transport characteristics of saturated gas diffusion layers treated with hydrophobic coatings

Mathias Raphaël Niffeler, Sophia Haussener, Seyedmohamad Moosavi

Water flooding of cathodic gas diffusion layers (GDLs) in proton-exchange membrane fuel cells at high current densities or low temperatures limits efficient operation due to disturbed transport of reactants to the catalytic sites or products away into the ...

Elsevier2018

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

Seyedmohamad Moosavi, Berend Smit, 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

Force-Field Prediction of Materials Properties in Metal-Organic Frameworks

Seyedmohamad Moosavi, Berend Smit, Matthew David Witman, Peter George Boyd

In this work, MOF bulk properties are evaluated and compared using several force fields on several well-studied MOFs, including IRMOF-1 (MOF-5), IRMOF-10, HKUST-1, and UiO-66. It is found that, surprisingly, UFF and DREIDING provide good values for the bul ...

2017

Translational and Rotational Motion of C8 Aromatics Adsorbed in Isotropic Porous Media (MOF-5): NMR Studies and MD Simulations

Seyedmohamad Moosavi, Berend Smit, Sudabeh Jawahery, Efrem Daniel Braun, Sondre Kvalvag Schnell

We combined nuclear magnetic resonance (NMR) and molecular dynamics (MD) simulation to study xylene behavior in MOF-5, probing the effects of adsorbate geometry in a weakly interacting model isotropic metal organic framework (MOF) system. We employed NMR d ...

American Chemical Society2017

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