Showing physics.chem-phShow all
2 papers · 1 filter
physics.chem-ph2025
Quantum Computing Beyond Ground State Electronic Structure: A Review of Progress Toward Quantum Chemistry Out of the Ground State
Alan Bidart, Prateek Vaish, Tilas Kabengele +3
Quantum computing offers the promise of revolutionizing quantum chemistry by enabling the solution of chemical problems for substantially less computational cost. While most demons…
physics.chem-ph2024
Quantum Hardware-Enabled Molecular Dynamics via Transfer Learning
Abid Khan, Prateek Vaish, Yaoqi Pang +8
The ability to perform ab initio molecular dynamics simulations using potential energies calculated on quantum computers would allow virtually exact dynamics for chemical and bioch…