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Mathias Steiner

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Category: Chemical Engineering and Industrial Chemistry

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

, Authors: Conor Cleeton, Felipe Lopes de Oliveira, Rodrigo Neumann, Amir Farmahini, Binquan Luan, Mathias Steiner, Lev Sarkisov

Version 2 posted 21 June 2023

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Category: Materials Chemistry

Combining Machine-Learning and Classical Potentials for Grand Canonical Monte Carlo Simulation of Chemisorption

, Authors: Binquan Luan, Carine Ribeiro dos Santos dos Santos, Bowen Zheng, Felipe Lopes Oliveira, Rodrigo Neumann Barros Ferreira, Mathias Steiner, Grace X. Gu

Version 1 posted 14 October 2024

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ISSN 2573-2293 (Online) ChemRxiv Archive

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