Publications

24 results at ACS Fall 2025

Spectra to Molecule: A Multimodal Multitasking Transformer Model for Automated Structure Elucidation
- - Marvin Alberts
  - Teodoro Laino
- 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
How Defects Freeze Ripples in 2D Materials
- - Fabian Thiemann
  - Camille Scalliet
  - et al.
- 2025
- ACS Fall 2025
Talk
Improving Polymer Property Predictions with Geometric Information in Equivariant Graph Neural Networks
- - Ronaldo Giro
  - Thiago Reschutzegger
  - 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
AI-driven prediction of monoclonal antibody binding and activity against influenza A virus
- - Michal Ozery-Flato
  - Ella Barkan
  - et al.
- 2025
- ACS Fall 2025
Talk
Transformer Model for Structure Elucidation from Tandem Mass Spectroscopy data
- - Laura Mismetti
  - Marvin Alberts
  - et al.
- 2025
- ACS Fall 2025
Talk
Hybrid quantum-classical simulation of periodic materials
- - Rodrigo Neumann Barros Ferreira
  - Alan Duriez
  - et al.
- 2025
- ACS Fall 2025
Talk
Investigating the role of activation in CO2 and N2 adsorption in Flexible MOFs
- - Geisa Lima
  - Matheus Esteves Ferreira
  - 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