High-throughput search of topological materials for interconnects using first-principles transport calculations and machine learning
- Kai Wagoner-oshima
- Michelle Guo
- et al.
- 2026
- APS Global Physics Summit 2026
Talk
Publications
66 results for Dmitry Zubarev
A General Pipeline for LLM Finetune Ingestion of Scientific Tabular Data
- Victor Yukio Shirasuna
- Enzo Oliveira
- et al.
- 2026
- AAAI 2026
Workshop paperToken-Level Early Fusion Model Bridging Text and 3D Electron Density Grids in Chemistry
- Eduardo Almeida Soares
- Emilio Ashton Vital Brazil
- et al.
- 2025
- NeurIPS 2025
Workshop paperEmergent Pose-Invariance in 3D Molecular Representations via Multimodal Learning
- Eduardo Almeida Soares
- Victor Yukio Shirasuna
- et al.
- 2025
- NeurIPS 2025
Workshop paperEmergent SO(3)-Invariant Molecular Representations from Multimodal Alignment
- Eduardo Almeida Soares
- Victor Yukio Shirasuna
- et al.
- 2025
- NeurIPS 2025
Workshop paperA Large Multimodal Molecular Representation Encoder-Decoder Foundation Model for Chemistry
- Victor Yukio Shirasuna
- Emilio Ashton Vital Brazil
- et al.
- 2025
- NeurIPS 2025
Workshop paperHigh-throughput computational analysis of kinetic barriers to ring-closing depolymerization for aliphatic polycarbonates
- Brandi Ransom
- Riccardo Bosio
- et al.
- 2025
- npj Computational Materials
PaperA Mamba-Based Foundation Model for Materials
- Eduardo Almeida Soares
- Emilio Ashton Vital Brazil
- et al.
- 2025
- NPJ AI
PaperSMI-TED: A large-scale foundation model for materials and chemistry
- Eduardo Almeida Soares
- Emilio Ashton Vital Brazil
- et al.
- 2025
- ICLR 2025
Workshop paperA Foundation Model for Simulation-Grade Molecular Electron Densities
- Eduardo Almeida Soares
- Dmitry Zubarev
- et al.
- 2025
- ICLR 2025
Workshop paper