Publications

16 results for Felipe Lopes de Oliveira

An Integrated Modeling Framework for Screening CO2 Capture Materials
- - Yogesh Joshi
  - Ashish Mhadeshwar
  - et al.
- 2023
- AIChE 2023
Active learning enhanced screening of CO2 capture materials
- - Anantha Sundaram
  - Yogesh Joshi
  - et al.
- 2023
- AIChE 2023
Multi-modal and multi-scale screening of solid sorbent materials for gas capture: The importance of adsorption kinetics
- - Rodrigo Neumann Barros Ferreira
  - Felipe Lopes de Oliveira
  - et al.
- 2023
- ACS Fall 2023
Exploring the impact of molecular force fields on the computational screening of COFs for carbon capture
- - Felipe Lopes de Oliveira
  - Conor Cleeton
  - et al.
- 2023
- ACS Fall 2023
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
  - et al.
- 2023
- Energy and Environmental Science
An Integrated Modeling Platform For Screening CO² Capture Materials
- - Ashish Mhadeshwar
  - Jayashree Kalyanaraman
  - et al.
- 2023
- ISCRE 2023
A process-level perspective on the impact of molecular force fields on the computational screening of MOFs for carbon capture
- - Conor Cleeton
  - Felipe Lopes de Oliveira
  - et al.
- 2023
- MEDPore 2023
CRAFTED - An exploratory database of simulated adsorption isotherms of metal-organic frameworks
- - Felipe Lopes de Oliveira
  - Conor Cleeton
  - et al.
- 2023
- Scientific Data
Machine-Learning Potentials for Molecular Dynamics Simulations of CO² Chemisorption and Diffusion in Mg-MOF-74
- - Binquan Luan
  - Bowen Zheng
  - et al.
- 2023
- MRS Spring Meeting 2023
pyMSER - An open-source library for automatic equilibration detection in Monte Carlo simulations
- - Felipe Lopes de Oliveira
  - Rodrigo Neumann Barros Ferreira
  - et al.
- 2023
- ACS Spring 2023