MDLab: AI frameworks for Carbon Capture and Battery Materials
- Bruce Elmegreen
- Hendrik Hamann
- et al.
- 2025
- Frontiers in Environmental Science
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139 results for Mathias B Steiner
Heterogeneous Multitask Learning Across the Chemical Space
- Thiago Reschutzegger
- Yann Amado
- et al.
- 2025
- ACS Spring 2025
Comparative Study of Open-source LLMs for text classification and knowledge extraction in the Material Discovery Domain
- Viviane T. Silva
- Anaximandro Souza
- et al.
- 2025
- ACS Spring 2025
Quantum Computer-Enhanced Surface Reaction Simulations for Battery Materials through Sample-Based Quantum Diagonalization and Local Embedding
- 2025
- APS Global Physics Summit 2025
Extended Hubbard modelling of metal-organic-frameworks
- Pamela Costa Carvalho
- Federico Zipoli
- et al.
- 2025
- APS Global Physics Summit 2025
Exploring quantum computing for materials discovery in direct air capture applications
- 2025
- APS Global Physics Summit 2025
Computing bandgaps of periodic materials with a quantum processor via tight-biding projection and subspace quantum diagonalization
- Alan Duriez
- Pamela Costa Carvalho
- et al.
- 2025
- APS Global Physics Summit 2025
Automated, LLM enabled extraction of synthesis details for reticular materials from scientific literature
- Viviane T. Silva
- Alexandre Rademaker
- et al.
- 2024
- NeurIPS 2024
Observing structural changes induced by gas adsorption in COF-300 with micro-Raman Spectroscopy
- Geisa Lima
- Matheus Esteves Ferreira
- et al.
- 2024
- Enbraer 2024
Ab-initio Raman simulations of metal-organic-frameworks
- Pamela Costa Carvalho
- Felipe Lopes Oliveira
- et al.
- 2024
- Enbraer 2024