559 citations · 3.4k across the 35 of their papers we have counts for
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Efficient quantum computation of molecular forces and other energy gradients
Thomas E. O'Brien, Michael Streif, Nicholas C. Rubin +12
While most work on the quantum simulation of chemistry has focused on computing energy surfaces, a similarly important application requiring subtly different algorithms is the comp…
Optimal scaling quantum linear systems solver via discrete adiabatic theorem
Pedro C. S. Costa, Dong An, Yuval R. Sanders +3
Recently, several approaches to solving linear systems on a quantum computer have been formulated in terms of the quantum adiabatic theorem for a continuously varying Hamiltonian.…
Quantum computation of molecular structure using data from challenging-to-classically-simulate nuclear magnetic resonance experiments
Thomas E. O'Brien, Lev B. Ioffe, Yuan Su +4
We propose a quantum algorithm for inferring the molecular nuclear spin Hamiltonian from time-resolved measurements of spin-spin correlators, which can be obtained via nuclear magn…
Provably accurate simulation of gauge theories and bosonic systems
Yu Tong, Victor V. Albert, Jarrod R. McClean +2
Quantum many-body systems involving bosonic modes or gauge fields have infinite-dimensional local Hilbert spaces which must be truncated to perform simulations of real-time dynamic…
Exploiting fermion number in factorized decompositions of the electronic structure Hamiltonian
Sam McArdle, Earl Campbell, Yuan Su
Achieving an accurate description of fermionic systems typically requires considerably many more orbitals than fermions. Previous resource analyses of quantum chemistry simulation…
Fault-Tolerant Quantum Simulations of Chemistry in First Quantization
Yuan Su, Dominic W. Berry, Nathan Wiebe +2
Quantum simulations of chemistry in first quantization offer important advantages over approaches in second quantization including faster convergence to the continuum limit and the…