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6 papers · 1 filter
Fast quantum simulation of electronic structure by spectrum amplification
Guang Hao Low, Robbie King, Dominic W. Berry +6
The most advanced techniques using fault-tolerant quantum computers to estimate the ground-state energy of a chemical Hamiltonian involve compression of the Coulomb operator throug…
Rapid initial state preparation for the quantum simulation of strongly correlated molecules
Dominic W. Berry, Yu Tong, Tanuj Khattar +8
Studies on quantum algorithms for ground state energy estimation often assume perfect ground state preparation; however, in reality the initial state will have imperfect overlap wi…
Quantum computation of stopping power for inertial fusion target design
Nicholas C. Rubin, Dominic W. Berry, Alina Kononov +7
Stopping power is the rate at which a material absorbs the kinetic energy of a charged particle passing through it -- one of many properties needed over a wide range of thermodynam…
Fault-tolerant quantum simulation of materials using Bloch orbitals
Nicholas C. Rubin, Dominic W. Berry, Fionn D. Malone +8
The simulation of chemistry is among the most promising applications of quantum computing. However, most prior work exploring algorithms for block-encoding, time-evolving, and samp…
Reliably assessing the electronic structure of cytochrome P450 on today's classical computers and tomorrow's quantum computers
Joshua J. Goings, Alec White, Joonho Lee +6
An accurate assessment of how quantum computers can be used for chemical simulation, especially their potential computational advantages, provides important context on how to deplo…
The Fermionic Quantum Emulator
Nicholas C. Rubin, Klaas Gunst, Alec White +5
The fermionic quantum emulator (FQE) is a collection of protocols for emulating quantum dynamics of fermions efficiently taking advantage of common symmetries present in chemical,…