Search

3 results in Authors: Mathias Steiner

Materials Chemistry

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

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

240

Downloads

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

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

Version 2 posted 21 June 2023

506

Downloads

1

Citations

Chemical Engineering and Industrial Chemistry

Molecular diffusion enhanced performance evaluation of metal-organic frameworks for CO2 capture

Rodrigo Neumann Barros Ferreira, Yogesh V. Joshi, Felipe Lopes Oliveira, Anantha Sundaram, Ashish B. Mhadeshwar, Jayashree Kalyanaraman, Binquan Luan, Mathias Steiner

Version 1 posted 19 November 2024

27

Downloads