4 papers · 1 filter
Planted Solutions in Quantum Chemistry: Generating Non-Trivial Hamiltonians with Known Ground States
Linjun Wang, Joshua T. Cantin, Smik Patel +3
Generating large, non-trivial quantum chemistry test problems with known ground-state solutions remains a core challenge for benchmarking electronic structure methods. Inspired by…
Trotter simulation of vibrational Hamiltonians on a quantum computer
Shreyas Malpathak, Sangeeth Das Kallullathil, Ignacio Loaiza +3
Simulating vibrational dynamics is essential for understanding molecular structure, unlocking useful applications such as vibrational spectroscopy for high-fidelity chemical detect…
Majorana Tensor Decomposition: A unifying framework for decompositions of fermionic Hamiltonians to Linear Combination of Unitaries
Ignacio Loaiza, Aritra Sankar Brahmachari, Artur F. Izmaylov
Linear combination of unitaries (LCU) decompositions have appeared as one of the main tools for encoding operators on quantum computers, allowing efficient implementations of arbit…
Feasibility of accelerating homogeneous catalyst discovery with fault-tolerant quantum computers
Nicole Bellonzi, Alexander Kunitsa, Joshua T. Cantin +16
The industrial manufacturing of chemicals consumes a significant amount of energy and raw materials. In principle, the development of new catalysts could greatly improve the effici…