MDLab: AI frameworks for Carbon Capture and Battery Materials
- Bruce Elmegreen
- Hendrik Hamann
- et al.
- 2025
- Frontiers in Environmental Science
Publications
58 results for Dmitry Zubarev
SMI-TED: A large-scale foundation model for materials and chemistry
- 2025
- ICLR 2025
A Foundation Model for Simulation-Grade Molecular Electron Densities
- Eduardo Almeida Soares
- Dmitry Zubarev
- et al.
- 2025
- ICLR 2025
Modeling electron density grids using a 3D VQ-GAN approach
- Dmitry Zubarev
- Emilio Ashton Vital Brazil
- et al.
- 2025
- ACS Spring 2025
Multimodal foundation model for aligning smiles representations with DFT electron density grids
- 2025
- ACS Spring 2025
Open-source large-scale foundation model for chemistry
- 2025
- ACS Spring 2025
GMO-Mat: A foundation model-based generative multi-objective optimization framework for materials discovery
- Carlos Raoni De Alencar Mendes
- Leonardo Noia Nanci de Araujo Silva
- et al.
- 2025
- ACS Spring 2025
High-throughput search of topological materials for interconnects using first-principles transport calculations and machine-learning
- Michelle Kelley
- Kai Wagoner-oshima
- et al.
- 2025
- APS Global Physics Summit 2025
A Mamba-Based Foundation Model for Chemistry
- 2024
- NeurIPS 2024
Agnostic Causality-Driven Enhancement of Chemical Foundation Models on Downstream Tasks
- Victor Shirasuna
- Eduardo Almeida Soares
- et al.
- 2024
- NeurIPS 2024