Constructing an open database of barrier heights for diverse elementary organic reactions
- 2025
- ACS Spring 2025
Poster
Publications
622 results for Accelerated Discovery
Integrating Molecular Dynamics Simulations and Machine Learning to Uncover Important Determinants of protein-protein Interactions
- Tiffany Callahan
- Kevin Cheng
- 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.
PaperExtended Hubbard modelling of metal-organic-frameworks
- Pamela Costa Carvalho
- Federico Zipoli
- 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
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
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
TalkComputing 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
TalkFoundation models for materials discovery – current state and future directions
- Edward O. Pyzer-Knapp
- Matteo Manica
- et al.
- 2025
- npj Computational Materials
ReviewAUTOMATING RENAL CANCER CHART REVIEW USING LARGE LANGUAGE MODELS
- Nicholas Heller
- Angelica Bartholomew
- et al.
- 2025
- Urologic Oncology: Seminars And Original Investigations
Paper