Quantum machine learning force fields
- Francesco Tacchino
- Oriel Kiss
- et al.
- 2023
- ACS Fall 2023
Publications
Date
Featured collections
Popular topics
75 results for Quantum Use Cases
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
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 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
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
Green's function approach to quantum chemistry on a quantum computer via dynamical self-energy mapping
- Christina Daniel
- Barbara Jones
- et al.
- 2023
- APS March Meeting 2023