Publications

632 results for Accelerated Discovery

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
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
A Discrete Diffusion Model for de novo Molecular Generation with Continuous Property Guidance
- - Partha Suryanarayanan
  - Shreyans Sethi
  - et al.
- 2025
- ACS Fall 2025
Talk
Accelerating LSTM model training through biologically inspired NeuroAI
- - Robert Tracey
  - Carol Mak
- 2025
- IJCAI 2025
Workshop paper
Simulating carbon dioxide geologic storage at pore scale in digital rock
- - Mathias Steiner
- 2025
- Interpore BR 2025
Keynote
Hybrid quantum-classical simulation of periodic materials
- - Rodrigo Neumann Barros Ferreira
  - Alan Duriez
  - et al.
- 2025
- Accelerate Conf 2025
Talk
A sample-based quantum diagonalization framework for periodic solids
- - Alan Duriez
  - Pamela Costa Carvalho
  - et al.
- 2025
- QSim 2025
Poster
Transductive Transfer-Learning for Land Use Land Cover Classification using Geospatial Foundation Models
- - Sina Asuka Klampt
  - Tatsuya Ishikawa
  - et al.
- 2025
- IGARSS 2025
Conference paper
Finetuning Geospatial Foundation Model for Wildfire Scars in Himalayan Region
- - Priyanka Shukla
  - Dericks Shukla
  - et al.
- 2025
- IGARSS 2025
Conference paper