Catalyst development for polymerization and CO2 capture, storage and upcycling to high value materials
- 2023
- ACS Fall 2023
Publications
43 results at ACS Fall 2023
Quantum machine learning force fields
- Francesco Tacchino
- Oriel Kiss
- et al.
- 2023
- ACS Fall 2023
Knowledge extraction pipeline with foundation models for material discovery
- Viviane T. Silva
- Breno William Santos Rezende de Carvalho
- et al.
- 2023
- ACS Fall 2023
Folding and misfolding of Huntingtin protein from a coevolutionary perspective
- 2023
- ACS Fall 2023
Quantum Embedding Method for the Simulation of Strongly Correlated Systems on Quantum Computers
- Max Rossmannek
- Fabijan Pavošević
- et al.
- 2023
- ACS Fall 2023
An AI-assisted Workbench for Material Discovery
- Emilio Ashton Vital Brazil
- Renato Fontoura de Gusmao Cerqueira
- et al.
- 2023
- ACS Fall 2023
Utilizing domain-specific languages as a tools for enabling AI-guided materials design
- 2023
- ACS Fall 2023
Molecular dynamics as a data source: scaling simulation for building AI models
- Joseph Morrone
- Jeff Weber
- et al.
- 2023
- ACS Fall 2023
Seeing the unseen: leveraging vision models to extract digital fingerprints of complex liquids
- Gianmarco Gabrieli
- Matteo Manica
- et al.
- 2023
- ACS Fall 2023
Predicting the right Reaction Solvents in Organic Synthesis using Artificial Intelligence
- Oliver Schilter
- Carlo Baldassari
- et al.
- 2023
- ACS Fall 2023