Publications

25 results at ACS Fall 2025

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
Dynamic Multimodal Fusion for Robust Molecular Representation Learning
- - Indra Priyadarsini S
  - Seiji Takeda
  - et al.
- 2025
- ACS Fall 2025
AI, Physics-Based Models, and the Complex and Complicated Nature of Drug Design
- - Wendy Cornell
- 2025
- ACS Fall 2025
Molecular diffusion enhanced performance evaluation of metal-organic frameworks for CO2 capture
- - Rodrigo Neumann Barros Ferreira
  - Yogesh Joshi
  - et al.
- 2025
- ACS Fall 2025
Transformer Model for Structure Elucidation from Tandem Mass Spectroscopy data
- - Laura Mismetti
  - Marvin Alberts
  - et al.
- 2025
- ACS Fall 2025
Raman Spectrum Prediction from Crystallographic Information with Graph Neural Networks
- 2025
- ACS Fall 2025
Reducing the quantum resource requirements for simulating molecules: Generalized entanglement forging
- - Tanvi Gujarati
  - Ieva Liepuoniute
  - et al.
- 2025
- ACS Fall 2025
How Defects Freeze Ripples in 2D Materials
- - Fabian Thiemann
  - Camille Scalliet
  - et al.
- 2025
- ACS Fall 2025
Improved sample-based quantum diagonalization via randomized Hamiltonian simulation
- - Max Rossmannek
  - Samuele Piccinelli
- 2025
- ACS Fall 2025
Triple activation of germinated seeds diversifies protein breakdown
- - Indrani Bera
  - Raúl Fernández Díaz
  - et al.
- 2025
- ACS Fall 2025