Corpus ID: 235212580

Fault-Tolerant Quantum Simulations of Chemistry in First Quantization

  title={Fault-Tolerant Quantum Simulations of Chemistry in First Quantization},
  author={Yuan Su and D. Berry and N. Wiebe and N. Rubin and R. Babbush},
Quantum simulations of chemistry in first quantization offer important advantages over approaches in second quantization including faster convergence to the continuum limit and the opportunity for practical simulations outside the Born-Oppenheimer approximation. However, as all prior work on quantum simulation in first quantization has been limited to asymptotic analysis, it has been impossible to compare the resources required for these approaches to those for more commonly studied algorithms… Expand
Exploiting fermion number in factorized decompositions of the electronic structure Hamiltonian
Achieving an accurate description of fermionic systems typically requires considerably many more orbitals than fermions. Previous resource analyses of quantum chemistry simulation often failed toExpand
Robustness of Discretization in Digital Adiabatic Simulation
The simulation of adiabatic evolution has deep connections with Adiabatic Quantum Computation, the Quantum Approximate Optimization Algorithm and adiabatic state preparation. Here we address theExpand
A Quantum Hamiltonian Simulation Benchmark
Yulong Dong, K. Birgitta Whaley, and Lin Lin3,4,5∗ Berkeley Center for Quantum Information and Computation, Berkeley, California 94720 USA Department of Chemistry, University of California, Berkeley,Expand
Hybridized Methods for Quantum Simulation in the Interaction Picture
1Department of Physics, University of Washington, Seattle, WA 98195, USA 2InQubator for Quantum Simulation (IQuS), Department of Physics, University of Washington, Seattle, WA 98195, USAExpand
Nearly tight Trotterization of interacting electrons
It suffices to use O gates to simulate electronic structure in the plane-wave basis with $n$ spin orbitals and $\eta$ electrons up to a negligible factor, improving the best previous result in second quantization while outperforming the first-quantized simulation when $n=\mathcal{O}\left(\eta^2\right)$. Expand