Hybrid quantum-classical simulation of periodic materials
- Rodrigo Neumann Barros Ferreira
- Alan Duriez
- et al.
- 2025
- ACS Fall 2025
Publications
26421 results for Science
Improving Polymer Property Predictions with Geometric Information in Equivariant Graph Neural Networks
- Ronaldo Giro
- Thiago Reschutzegger
- et al.
- 2025
- ACS Fall 2025
Improved sample-based quantum diagonalization via randomized Hamiltonian simulation
- 2025
- ACS Fall 2025
AI-driven prediction of monoclonal antibody binding and activity against influenza A virus
- Michal Ozery-Flato
- Ella Barkan
- et al.
- 2025
- ACS Fall 2025
A Discrete Diffusion Model for de novo Molecular Generation with Continuous Property Guidance
- Partha Suryanarayanan
- Shreyans Sethi
- et al.
- 2025
- ACS Fall 2025
Leveraging multi-textual representation of molecules on a large encoder-decoder foundation models for materials
- 2025
- ACS Fall 2025
Drug-target binding affinity prediction with docking pose physics
- Marina Villacampa-fernandez
- Raúl Fernández Díaz
- et al.
- 2025
- ACS Fall 2025
3rd TrustAI Workshop: Building Public Awareness and Engagement
- Miriam Rateike
- Brian Mboya
- et al.
- 2025
- DLI 2025
DECASTE: Unveiling Caste Stereotypes in Large Language Models through Multi-Dimensional Bias Analysis
- Prashanth Vijayaraghavan
- Soroush Vosoughi
- et al.
- 2025
- IJCAI 2025
Accelerating LSTM model training through biologically inspired NeuroAI
- 2025
- IJCAI 2025