13 papers
Polynomial-time exact diagonalization via sparse guided eigenwalks
Zachary E. Chin, Mario Motta, Javier Robledo Moreno +3
Computing quantum ground states is generically difficult, but additional structure can sometimes allow diagonalization to be recast as a more feasible problem. For example, when th…
ffsim: Faster simulation of fermionic quantum circuits
Kevin J. Sung, Inho Choi, Mirko Amico +14
We present ffsim, an open-source software library for fast simulation of fermionic quantum circuits. ffsim exploits conservation of particle number and the z component of spin, sym…
Crossing the 12,000-atom barrier with heterogeneous quantum-classical supercomputing: quantum chemistry of protein-ligand complexes
Kenneth M. Merz, Akhil Shajan, Danil Kaliakin +20
Ab initio wavefunction methods provide accurate molecular simulations but their computational scaling restricts applications to small systems. We develop a workflow combining quant…
Quantum-centric simulation of hydrogen abstraction by sample-based quantum diagonalization and entanglement forging
Tyler Smith, Tanvi P. Gujarati, Mario Motta +11
The simulation of electronic systems is an anticipated application for quantum-centric computers, i.e. heterogeneous architectures where classical and quantum processing units oper…
Quantum chemistry with provable convergence via randomized sample-based Krylov quantum diagonalization
Samuele Piccinelli, Alberto Baiardi, Stefano Barison +12
Quantum algorithms based on classical processing of individual samples have recently emerged as the most effective and robust methods to approximate ground-state wave functions of…
Symmetry-guided quantum state preparation: Branched-Subspaces Adiabatic Preparation (B-SAP)
Davide Cugini, Giacomo Guarnieri, Mario Motta +1
Quantum state preparation lies at the heart of quantum computation and quantum simulations, enabling the investigation of complex manybody systems across physics, chemistry, and da…