Publications

155 results for Mathias Steiner

Simulating CO₂ diffusivity in rigid and flexible Mg-MOF-74 with machine-learning force fields
- - Bowen Zheng
  - Grace Gu
  - et al.
- 2024
- APL Mach. Learn.
Paper
Computational Materials Discovery for Carbon Dioxide Capture Applications
- - Mathias Steiner
- 2024
- APS March Meeting 2024
Invited talk
CO₂ capillary trapping under varying wettability scenarios
- - Jaione Tirapu Azpiroz
  - Rodrigo Neumann Barros Ferreira
  - et al.
- 2024
- APS March Meeting 2024
Talk
Machine-Learning Potentials for Simulating CO₂ Chemisorption
- - Binquan Luan
  - Carine Dos Santos
  - et al.
- 2024
- APS March Meeting 2024
Talk
Discovery of novel reticular materials for carbon dioxide capture using GFlowNets
- - Flaviu Cipcigan
  - Jonathan Booth
  - et al.
- 2024
- Digital Discovery
Paper
Discovery of Novel Reticular Materials for Carbon Dioxide Capture using GFlowNets
- - Flaviu Cipcigan
  - Jonathan Booth
  - et al.
- 2023
- NeurIPS 2023
Workshop paper
In-silico Polymer Generation using fine-tuned Regression Transformers with Open Reference Data
- - Ronaldo Giro
  - Hsiang Han Hsu
  - et al.
- 2023
- MRS Fall Meeting 2023
Talk
An Integrated Modeling Framework for Screening CO2 Capture Materials
- - Yogesh Joshi
  - Ashish Mhadeshwar
  - et al.
- 2023
- AIChE 2023
Short paper
Active learning enhanced screening of CO2 capture materials
- - Anantha Sundaram
  - Yogesh Joshi
  - et al.
- 2023
- AIChE 2023
Short paper
How water adsorbed on porous graphene affects CO₂ capture and separation
- - Zonglin Gu
  - Zhaolu Cai
  - et al.
- 2023
- CEJ
Paper