Publications

635 results for Accelerated Discovery

Chemical foundation model-guided design of high ionic conductivity electrolyte formulations
- - Murtaza Zohair
  - Vidushi Sharma
  - et al.
- 2025
- npj Computational Materials
Paper
Taming the Wild West of Research Computing: How Policies Saved Us a Thousand Headaches
- - Alessandro Pomponio
- 2025
- Cloud Native Dublin 2025
Talk
Dynamic Multimodal Fusion for Robust Molecular Representation Learning
- - Indra Priyadarsini S
  - Seiji Takeda
  - et al.
- 2025
- ACS Fall 2025
Conference paper
Scientific research with AI co-participation in chemistry: Prompt engineering and AI ethical challenges in the scientific discovery process
- - Juliana Jansen Ferreira
  - Vinicius Segura
  - et al.
- 2025
- ACS Fall 2025
Conference paper
Molecular diffusion enhanced performance evaluation of metal-organic frameworks for CO2 capture
- - Rodrigo Neumann Barros Ferreira
  - Yogesh Joshi
  - et al.
- 2025
- ACS Fall 2025
Talk
From Spectra to Structure: AI-Powered 31P-NMR Interpretation
- - Marvin Alberts
  - Nina Hartrampf
  - et al.
- 2025
- ACS Fall 2025
Talk
How to generalize machine learning models to both canonical and non-canonical peptides
- - Raúl Fernández Díaz
  - Rodrigo Ochoa
  - et al.
- 2025
- ACS Fall 2025
Talk
Triple activation of germinated seeds diversifies protein breakdown
- - Indrani Bera
  - Raúl Fernández Díaz
  - et al.
- 2025
- ACS Fall 2025
Talk
Force-free molecular dynamics for fast and accurate long-timescale simulations
- - Fabian Thiemann
  - Thiago Reschutzegger
  - et al.
- 2025
- ACS Fall 2025
Talk
Raman Spectrum Prediction from Crystallographic Information with Graph Neural Networks
- - Ademir Ferreira Da Silva
  - Matheus Esteves Ferreira
  - et al.
- 2025
- ACS Fall 2025
Talk