Publications

550 results for Accelerated Discovery

Fine-tuning of Geospatial Foundation Models for Aboveground Biomass Estimation
- - Michal Muszynski
  - Levente Klein
  - et al.
- 2024
- KDD 2024
Leveraging Chemistry Foundation Models to Facilitate Structure Focused Retrieval Augmented Generation in Multi-Agent Workflows for Catalyst and Materials Design
- - Nathaniel Park
  - Tiffany Callahan
  - et al.
- 2024
- arXiv
Surface reaction calculations with quantum computers for battery materials
- 2024
- ACS Fall 2024
Docling Technical Report
- - Christoph Auer
  - Maxim Lysak
  - et al.
- 2024
- arXiv
MoLMamba: A Large State-Space-based Foundation Model for Chemistry
- - Eduardo Almeida Soares
  - Victor Shirasuna
  - et al.
- 2024
- ACS Fall 2024
Harnessing negative data for enhancing model learning in chemistry
- - Alessandra Toniato
  - Mara Graziani
  - et al.
- 2024
- ACS Fall 2024
In-situ characterization of metal-organic frameworks: A combined DFT and micro-Raman spectroscopy approach
- - Matheus Esteves Ferreira
  - Geisa Lima
  - et al.
- 2024
- ACS Fall 2024
Atomistic simulations and machine learning approaches to investigate bromoform interactions with cell membranes: Implications for seaweed-based methane emission reduction
- - Jie Shi
  - Kevin Cheng
  - et al.
- 2024
- ACS Fall 2024
Multimodal Molecular Representation Learning for Small Molecule Drug Discovery - Pretraining and Early Fusion Architectures
- - Partha Suryanarayanan
  - Shreyans Sethi
  - et al.
- 2024
- ACS Fall 2024
MorganGen: Generative Modeling of SMILES Using Morgan Fingerprint Features
- - Lam Thanh Hoang
  - Raúl Fernández Díaz
  - et al.
- 2024
- ACS Fall 2024