Publications

43 results at 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
Knowledge extraction pipeline with foundation models for material discovery
- - Viviane T. Silva
  - Breno William Santos Rezende de Carvalho
  - et al.
- 2023
- ACS Fall 2023
Quantum machine learning force fields
- - Francesco Tacchino
  - Oriel Kiss
  - et al.
- 2023
- ACS Fall 2023
Folding and misfolding of Huntingtin protein from a coevolutionary perspective
- - Leili Zhang
- 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
Molecular dynamics as a data source: scaling simulation for building AI models
- - Joseph Morrone
  - Jeff Weber
  - et al.
- 2023
- ACS Fall 2023
Synthesis Platforms for Generating High-Quality Polymer Datasets Utilizing Continuous and Discontinuous Reaction Setups
- - Tim Erdmann
  - Nathaniel Park
  - et al.
- 2023
- ACS Fall 2023
Understanding the role of mass transport and lithium interphase design in enabling conversion batteries
- - Murtaza Zohair
  - Maxwell Giammona
  - et al.
- 2023
- ACS Fall 2023
Interpretable latent representations for molecular property prediction models
- - Sanjoy Dey
  - Partha Suryanarayanan
  - et al.
- 2023
- ACS Fall 2023
Tool to isolate and identify impactful submolecular motifs – rBRICS
- - Leili Zhang
- 2023
- ACS Fall 2023