Publications

523 results for Accelerated Discovery

Using Large Language Models to Understand Suicidality in a Social Media–Based Taxonomy of Mental Health Disorders: Linguistic Analysis of Reddit Posts
- - Brian Bauer
  - Raquel Norel
  - et al.
- 2024
- JMIR Mental Health
Multi-scale Simulations Toolkit for Inertial Fusion Energy
- - Jordan Lee
  - Vadim Elisseev
  - et al.
- 2024
- ISC 2024
Hessian Reparametrization for Coarse-grained Energy Minimization
- - Nima Dehmamy
  - Csaba Both
  - et al.
- 2024
- ICLR 2024
Growing strings in a chemical reaction space for searching retrosynthesis pathways
- - Federico Zipoli
  - Carlo Baldassari
  - et al.
- 2024
- npj Computational Materials
Vocal expression of emotions discriminates dementia with Lewy bodies from Alzheimer's disease
- - Masatomo Kobayashi
  - Yasunori Yamada
  - et al.
- 2024
- DADM
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.
Building Sustainable Futures: Tutorial on Carbon Footprint Analysis and Mitigation Strategies Using Counter Factual Queries
- - Kumar Saurav
  - Manikandan Padmanaban
  - et al.
- 2024
- ICLR 2024
Learning Drug Perturbations via Conditional Map Estimators
- - Benedek Harsanyi
  - Marianna Rapsomaniki
  - et al.
- 2024
- ICLR 2024
Empowering Sustainable Finance: Leveraging Large Language Models for Climate-Aware Investments
- - Ayush Jain
  - Manikandan Padmanaban
  - et al.
- 2024
- ICLR 2024
Combining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes
- - Oliver Schilter
  - Daniel Pacheco Gutierrez
  - et al.
- 2024
- Chemical Science