Heterogeneous Multitask Learning Across the Chemical Space
- Thiago Reschutzegger
- Yann Amado
- et al.
- 2025
- ACS Spring 2025
Talk
Publications
3553 results for Materials Discovery
Study planning assistant: Supporting material discovery with agentic workflows
- Viviane T. Silva
- Renato Fontoura de Gusmao Cerqueira
- et al.
- 2025
- ACS Spring 2025
PosterUncertainty Analysis of Molecular Quantum Properties Prediction Using Chemical Foundation Models
- Siya Kunde
- Emilio Ashton Vital Brazil
- et al.
- 2025
- ACS Spring 2025
PosterPolymeric Giant Unilamellar Vesicles Support Longevity of Native Nuclei in Protocells
- Lukas Heuberger
- Arianna Balestri
- et al.
- 2025
- Small Sci.
PaperComputing 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
TalkHigh-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
TalkQuantum Computer-Enhanced Surface Reaction Simulations for Battery Materials through Sample-Based Quantum Diagonalization and Local Embedding
- Marco Antonio Guimaraes Auad Barroca
- Rodrigo Neumann Barros Ferreira
- et al.
- 2025
- APS Global Physics Summit 2025
TalkExploring quantum computing for materials discovery in direct air capture applications
- Mathias Steiner
- Marco Antonio Guimaraes Auad Barroca
- et al.
- 2025
- APS Global Physics Summit 2025
TalkVariational preparation of normal matrix product states on quantum computers
- Ben Jaderberg
- George Pennington
- et al.
- 2025
- APS Global Physics Summit 2025
TalkExtended Hubbard modelling of metal-organic-frameworks
- Pamela Costa Carvalho
- Federico Zipoli
- et al.
- 2025
- APS Global Physics Summit 2025
Talk