Publications

622 results for Accelerated Discovery

Growing strings in a chemical reaction space for searching retrosynthesis pathways
- - Federico Zipoli
  - Carlo Baldassari
  - et al.
- 2024
- npj Computational Materials
Paper
Vocal expression of emotions discriminates dementia with Lewy bodies from Alzheimer's disease
- - Masatomo Kobayashi
  - Yasunori Yamada
  - et al.
- 2024
- DADM
Paper
Simulating CO₂ diffusivity in rigid and flexible Mg-MOF-74 with machine-learning force fields
- - Bowen Zheng
  - Grace Gu
  - et al.
- 2024
- APL Mach. Learn.
Paper
Empowering Sustainable Finance: Leveraging Large Language Models for Climate-Aware Investments
- - Ayush Jain
  - Manikandan Padmanaban
  - et al.
- 2024
- ICLR 2024
Workshop paper
Building Sustainable Futures: Tutorial on Carbon Footprint Analysis and Mitigation Strategies Using Counter Factual Queries
- - Kumar Saurav
  - Manikandan Padmanaban
  - et al.
- 2024
- ICLR 2024
Workshop paper
Learning Drug Perturbations via Conditional Map Estimators
- - Benedek Harsanyi
  - Marianna Rapsomaniki
  - et al.
- 2024
- ICLR 2024
Workshop paper
Combining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes
- - Oliver Schilter
  - Daniel Pacheco Gutierrez
  - et al.
- 2024
- Chemical Science
Paper
Probing omics data via harmonic persistent homology
- - Davide Gurnari
  - Aldo Guzmán-Sáenz
  - et al.
- 2024
- RECOMB 2024
Workshop paper
SciScribe: Automating & Contextualizing Literature Reviews in Cardiac Surgery
- - Kasper Dinkla
  - Peter Staar
  - et al.
- 2024
- AATS Annual Meeting 2024
Invited talk
Using Domain Specific Languages to Enable Artificial Intelligence for Polymer and Catalyst Design
- - Nathaniel Park
  - Jannis Born
  - et al.
- 2024
- MRS Spring Meeting 2024
Talk