Publications

76 results for Quantum Use Cases

Quantum machine learning force fields
- - Francesco Tacchino
  - Oriel Kiss
  - et al.
- 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
Quantum computing study of molecular properties treating nuclear quantum effects
- - Yukio Kawashima
  - Tanvi Gujarati
  - et al.
- 2023
- ACS Fall 2023
Harnessing Quantum Computing for Direct Air Capture Materials Discovery
- 2023
- Paraty Quantum Information School and Workshop 2023
A quantum computing implementation of nuclearelectronic orbital (NEO) theory: Toward an exact pre-Born-Oppenheimer formulation of molecular quantum systems
- - Arseny Kovyrshin
  - Mårten Skogh
  - et al.
- 2023
- Journal of Chemical Physics
Exact and efficient Lanczos method on a quantum computer
- - William Kirby
  - Mario Motta
  - et al.
- 2023
- Quantum
Quantum Chemical Data Generation as Fill-In for Reliability Enhancement of Machine-Learning Reaction and Retrosynthesis Planning
- - Alessandra Toniato
  - Jan Unsleber
  - et al.
- 2023
- MRS Spring Meeting 2023
Machine-Learning Potentials for Molecular Dynamics Simulations of CO² Chemisorption and Diffusion in Mg-MOF-74
- - Binquan Luan
  - Bowen Zheng
  - et al.
- 2023
- MRS Spring Meeting 2023
Quantum Embedding Method for the Simulation of Strongly Correlated Systems on Quantum Computers
- - Max Rossmannek
  - Fabijan Pavošević
  - et al.
- 2023
- Journal of Physical Chemistry Letters
Quantum kernel machine learning of density functionals using a Levy-Lieb pure-state embedding
- - Das Pemmaraju
  - Amol Deshmukh
- 2023
- APS March Meeting 2023