Embedding billion-scale molecule databases in generative model latent space enables efficient search for accessible surrogates
- Tim Rumbell
- Shruti Murarka
- et al.
- 2026
- ACS Spring 2026
Poster
Publications
26943 results for Science
Safer materials advisor: Identification and characterization of materials of concerns
- Viviane T. Silva
- Kristin Schmidt
- et al.
- 2026
- ACS Spring 2026
PosterOpen and Sustainable AI: challenges, opportunities and the road ahead in the life sciences
- Gavin Farell
- Eleni Adamidi
- et al.
- 2026
- Nature Methods
PaperElectronic and magnetic properties of lanthanide atomic chains and nanostructures assembled atom-by-atom
- Christopher Lutz
- Gregory Czap
- et al.
- 2026
- APS Global Physics Summit 2026
Conference paperHigh-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
TalkElectron-spin resonance atomic force microscopy and tip-induced chemistry
- Lisanne Sellies
- Raffael Spachtholz
- et al.
- 2026
- APS Global Physics Summit 2026
TalkElectron Spin Resonance and Magnetic Resonance Imaging of the Delocalized Electron in a Lanthanide Atomic Wire
- Gregory Czap
- Christopher Lutz
- et al.
- 2026
- APS Global Physics Summit 2026
TalkQuantum chemistry with provable convergence via randomized sample-based quantum diagonalization
- Samuele Piccinelli
- Francesco Tacchino
- et al.
- 2026
- APS Global Physics Summit 2026
TalkPreparing 100-site gapped ground states of the XXZ model and the bond-alternating Heisenberg model on quantum hardware
- George Pennington
- Kevin Smith
- et al.
- 2026
- APS Global Physics Summit 2026
TalkTowards secondary structure prediction of longer mRNA sequences using a quantum-centric optimization scheme
- Saurabh Shivpuje
- Dimitris Alevras
- et al.
- 2026
- APS Global Physics Summit 2026
Poster