Publications

142 results for Mathias B Steiner

In situ characterization of CO2 adsorption in metal organic frameworks
- - Matheus Esteves Ferreira
  - Geisa Lima
  - et al.
- 2024
- Enbraer 2024
Ab-initio Raman simulations of metal-organic-frameworks
- - Pamela Costa Carvalho
  - Felipe Lopes Oliveira
  - et al.
- 2024
- Enbraer 2024
Quantum-centric supercomputing for materials science: A perspective on challenges and future directions
- - Yuri Alexeev
  - Maximilian Amsler
  - et al.
- 2024
- Future Generation Computer Systems
Exploring qubit-ADAPT-VQE for materials discovery in direct air capture
- 2024
- Apl Quantum
pyMSER─An Open-Source Library for Automatic Equilibration Detection in Molecular Simulations
- - Felipe L. Oliveira
  - Binquan Luan
  - et al.
- 2024
- JCTC
Surface reaction calculations with quantum computers for battery materials
- 2024
- ACS Fall 2024
In-situ characterization of metal-organic frameworks: A combined DFT and micro-Raman spectroscopy approach
- - Matheus Esteves Ferreira
  - Geisa Lima
  - et al.
- 2024
- ACS Fall 2024
Selecting Covalent Organic Frameworks for Gas Capture using micro-Raman Spectroscopy
- - Geisa Lima
  - Matheus Esteves Ferreira
  - et al.
- 2024
- ACS Fall 2024
AI-Assisted Raman Spectral Peak Label Assignment
- 2024
- ACS Fall 2024
Predicting polymerization reactions via transfer learning using chemical language models
- - Ronaldo Giro
  - Brenda S. Ferrari
  - et al.
- 2024
- ACS Fall 2024