5 papers · 1 filter
Quantum Seniority-based Subspace Expansion: Linear Combinations of Short-Circuit Unitary Transformations for the Electronic Structure Problem
Smik Patel, Praveen Jayakumar, Rick Huang +2
Quantum SENiority-based Subspace Expansion (Q-SENSE) is a hybrid quantum-classical algorithm that interpolates between the Variational Quantum Eigensolver (VQE) and Configuration I…
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…
Quantum Measurement for Quantum Chemistry on a Quantum Computer
Smik Patel, Praveen Jayakumar, Tzu-Ching Yen +1
Quantum chemistry is among the most promising applications of quantum computing, offering the potential to solve complex electronic structure problems more efficiently than classic…
Global Minimization of Electronic Hamiltonian 1-Norm via Linear Programming in the Block Invariant Symmetry Shift (BLISS) Method
Smik Patel, Aritra Sankar Brahmachari, Joshua T. Cantin +2
The cost of encoding a system Hamiltonian in a digital quantum computer as a linear combination of unitaries (LCU) grows with the 1-norm of the LCU expansion. The Block Invariant S…
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…