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Theoretical and Computational Chemistry

Working Paper

Multi-Scale Computational Design of Metal-Organic Frameworks for Carbon Capture Using Machine Learning and Multi-Objective Optimization

Zijun Deng, Lev Sarkisov

Version 2 posted 15 July 2024

480

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Chemical Engineering and Industrial Chemistry

Working Paper

How 2D nanoflakes improve transport in mixed matrix membranes: insights from a simple lattice model and dynamic mean field theory

Tianmu Yuan, Lev Sarkisov

Version 2 posted 17 January 2024

555

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Materials Science

Working Paper

Design of metal-organic frameworks using deep dreaming approaches

Conor Cleeton, Lev Sarkisov

Version 2 posted 20 June 2024

684

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Physical Chemistry

Working Paper

Exploring the Thermodynamic Criteria for Responsive Adsorption Processes

Jack D. Evans, Simon Krause, Stefan Kaskel, Martin B. Sweatman, Lev Sarkisov

Version 2 posted 18 March 2019

831

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Chemical Engineering and Industrial Chemistry

Working Paper

Simple lattice model explains equilibrium separation phenomena in glassy polymers

Tianmu Yuan, Maria Grazia De Angelis, Lev Sarkisov

Version 1 posted 02 May 2023

236

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Materials Chemistry

Working Paper

A Data-Science Approach to Predict the Heat Capacity of Nanoporous Materials

Seyed Mohamad Moosavi, Balázs Álmos Novotny, Daniele Ongari, Elias Moubarak, Mehrdad Asgari, Özge Kadioglu, Charithea Charalambous, Andres Guerrero, Amir H. Farmahini, Lev Sarkisov, Susana Garcia, Frank Noé, Berend Smit

Version 1 posted 19 April 2022

1,382

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Theoretical and Computational Chemistry

Working Paper

Unveiling the Synthesis Patterns of Nanomaterials: A Text Mining and Meta-Analysis Approach with ZIF-8 as a Case Study

Joseph Manning, Lev Sarkisov

Version 1 posted 09 June 2023

255

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Chemical Engineering and Industrial Chemistry

Working Paper

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, Rodrigo Neumann, Amir Farmahini, Binquan Luan, Mathias Steiner, Lev Sarkisov

Version 2 posted 21 June 2023

527

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Material Informatics with PoreBlazer v4.0 and CSD MOF Database

Lev Sarkisov, Rocio Bueno-Perez, Mythili Sutharson, David Fairen-jimenez

Version 1 posted 07 September 2020

1,443

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2

Citations

Chemical Engineering and Industrial Chemistry

Working Paper

Emergence of the Robeson bound in non-equilibrium molecular dynamics simulations

Tianmu Yuan, Ronaldo Giro, Mathias B. Steiner, Hsianghan Hsu, Lev Sarkisov

Version 1 posted 20 December 2024

86

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10 results in Lev Sarkisov in Authors: Lev Sarkisov

Multi-Scale Computational Design of Metal-Organic Frameworks for Carbon Capture Using Machine Learning and Multi-Objective Optimization

How 2D nanoflakes improve transport in mixed matrix membranes: insights from a simple lattice model and dynamic mean field theory

Design of metal-organic frameworks using deep dreaming approaches

Exploring the Thermodynamic Criteria for Responsive Adsorption Processes

Simple lattice model explains equilibrium separation phenomena in glassy polymers

A Data-Science Approach to Predict the Heat Capacity of Nanoporous Materials

Unveiling the Synthesis Patterns of Nanomaterials: A Text Mining and Meta-Analysis Approach with ZIF-8 as a Case Study

A process-level perspective of the impact of molecular force fields on the computational screening of MOFs for carbon capture

Material Informatics with PoreBlazer v4.0 and CSD MOF Database

Emergence of the Robeson bound in non-equilibrium molecular dynamics simulations

10 results in Authors: Lev Sarkisov