A two-fold quantum embedding strategy combined with machine learning integrates accurate quantum-mechanical energies into free energy calculations for biomolecular complexes and analyzes requirements for quantum computers to enhance such modeling.
Molecular electronic-structure theory
2 Pith papers cite this work. Polarity classification is still indexing.
2
Pith papers citing it
citation-role summary
background 1
citation-polarity summary
years
2025 2verdicts
UNVERDICTED 2roles
background 1polarities
background 1representative citing papers
Review of quantum computing methods and potential for non-ground-state quantum chemistry including reaction dynamics, mechanisms, and finite temperatures.
citing papers explorer
-
How to use quantum computers for biomolecular free energies
A two-fold quantum embedding strategy combined with machine learning integrates accurate quantum-mechanical energies into free energy calculations for biomolecular complexes and analyzes requirements for quantum computers to enhance such modeling.
-
Quantum Computing Beyond Ground State Electronic Structure: A Review of Progress Toward Quantum Chemistry Out of the Ground State
Review of quantum computing methods and potential for non-ground-state quantum chemistry including reaction dynamics, mechanisms, and finite temperatures.