activity
20022023
most citedSimulated Quantum Computation of Molecular Energies

1.5k citations · 7.5k across the 81 of their papers we have counts for

collaborators

82 papers

cs.LG2023★ 16 cited

Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems

Xuan Zhang, Limei Wang, Jacob Helwig +60

Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating…

quant-ph2023★ 5 cited

Fast quantum algorithm for differential equations

Mohsen Bagherimehrab, Kouhei Nakaji, Nathan Wiebe +3

Partial differential equations (PDEs) are ubiquitous in science and engineering. Prior quantum algorithms for solving the system of linear algebraic equations obtained from discret…

quant-ph2023★ 1 cited

Machine learning of measurement schemes for efficient quantum observable estimation

Zi-Jian Zhang, Kouhei Nakaji, Matthew Choi +1

Estimation of the expectation value of observables is a key subroutine in quantum computing and is also the bottleneck of the performance of many near-term quantum algorithms. Many…

quant-ph2023★ 12 cited

Partitioning Quantum Chemistry Simulations with Clifford Circuits

Philipp Schleich, Joseph Boen, Lukasz Cincio +5

Current quantum computing hardware is restricted by the availability of only few, noisy qubits which limits the investigation of larger, more complex molecules in quantum chemistry…

quant-ph2023★ 26 cited

qSWIFT: High-order randomized compiler for Hamiltonian simulation

Kouhei Nakaji, Mohsen Bagherimehrab, Alan Aspuru-Guzik

Hamiltonian simulation is known to be one of the fundamental building blocks of a variety of quantum algorithms such as its most immediate application, that of simulating many-body…

quant-ph2023★ 127 cited

Drug design on quantum computers

Raffaele Santagati, Alan Aspuru-Guzik, Ryan Babbush +12

Quantum computers promise to impact industrial applications, for which quantum chemical calculations are required, by virtue of their high accuracy. This perspective explores the c…