Search Results - "Rubin, Nicholas C."
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1
Application of fermionic marginal constraints to hybrid quantum algorithms
Published in New journal of physics (09-05-2018)“…Many quantum algorithms, including recently proposed hybrid classical/quantum algorithms, make use of restricted tomography of the quantum state that measures…”
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2
Decoding quantum errors with subspace expansions
Published in Nature communications (31-01-2020)“…With rapid developments in quantum hardware comes a push towards the first practical applications. While fully fault-tolerant quantum computers are not yet…”
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3
Compressing Many-Body Fermion Operators under Unitary Constraints
Published in Journal of chemical theory and computation (08-03-2022)“…The most efficient known quantum circuits for preparing unitary coupled cluster states and applying Trotter steps of the arbitrary basis electronic structure…”
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4
Virtual Distillation for Quantum Error Mitigation
Published in Physical review. X (19-11-2021)“…Contemporary quantum computers have relatively high levels of noise, making it difficult to use them to perform useful calculations, even with a large number…”
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5
Increasing the Representation Accuracy of Quantum Simulations of Chemistry without Extra Quantum Resources
Published in Physical review. X (07-01-2020)“…Proposals for experiments in quantum chemistry on quantum computers leverage the ability to target a subset of degrees of freedom containing the essential…”
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Efficient and noise resilient measurements for quantum chemistry on near-term quantum computers
Published in npj quantum information (05-02-2021)“…Variational algorithms are a promising paradigm for utilizing near-term quantum devices for modeling electronic states of molecular systems. However, previous…”
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7
Fermionic Partial Tomography via Classical Shadows
Published in Physical review letters (10-09-2021)“…We propose a tomographic protocol for estimating any k-body reduced density matrix (k-RDM) of an n-mode fermionic state, a ubiquitous step in near-term quantum…”
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8
Kinetics of Thiol/Disulfide Exchange Correlate Weakly with the Restoring Force in the Disulfide Moiety
Published in Angewandte Chemie (International ed.) (01-01-2009)“…S‐S‐Stretch! A series of increasingly strained macrocyclic disulfides investigated experimentally and by high‐level DFT calculations reveals that the kinetics…”
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9
Unbiasing fermionic quantum Monte Carlo with a quantum computer
Published in Nature (London) (17-03-2022)“…Interacting many-electron problems pose some of the greatest computational challenges in science, with essential applications across many fields. The solutions…”
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10
Hartree-Fock on a superconducting qubit quantum computer
Published in Science (American Association for the Advancement of Science) (28-08-2020)“…Twelve-qubit quantum computing for chemistry Accurate electronic structure calculations are considered one of the most anticipated applications of quantum…”
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11
Reliably assessing the electronic structure of cytochrome P450 on today’s classical computers and tomorrow’s quantum computers
Published in Proceedings of the National Academy of Sciences - PNAS (20-09-2022)“…An accurate assessment of how quantum computers can be used for chemical simulation, especially their potential computational advantages, provides important…”
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12
p†q: a tool for prototyping many-body methods for quantum chemistry
Published in Molecular physics (17-11-2021)“…p q is a C++ accelerated Python library designed to generate equations for many-body quantum chemistry methods and to realise proof-of-concept implementations…”
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13
Tailored and Externally Corrected Coupled Cluster with Quantum Inputs
Published in Journal of chemical theory and computation (25-06-2024)“…We propose to use wave function overlaps obtained from a quantum computer as inputs for the classical split-amplitude techniques, tailored and externally…”
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14
Expanding the reach of quantum optimization with fermionic embeddings
Published in Quantum (Vienna, Austria) (28-08-2024)“…Quadratic programming over orthogonal matrices encompasses a broad class of hard optimization problems that do not have an efficient quantum representation…”
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15
Drug design on quantum computers
Published in Nature physics (01-04-2024)“…The promised industrial applications of quantum computers often rest on their anticipated ability to perform accurate, efficient quantum chemical calculations…”
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16
Quantum computation of stopping power for inertial fusion target design
Published in Proceedings of the National Academy of Sciences - PNAS (04-06-2024)“…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…”
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17
Fast Emulation of Fermionic Circuits with Matrix Product States
Published in Journal of chemical theory and computation (14-05-2024)“…We describe a matrix product state (MPS) extension for the Fermionic Quantum Emulator (FQE) software library. We discuss the theory behind symmetry-adapted…”
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18
Challenges for Variational Reduced-Density-Matrix Theory: Total Angular Momentum Constraints
Published in Journal of chemical theory and computation (11-10-2022)“…The variational two-electron reduced density matrix (v2RDM) method is generalized for the description of total angular momentum (J) and projection of total…”
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19
Error Mitigation via Verified Phase Estimation
Published in PRX quantum (01-05-2021)“…The accumulation of noise in quantum computers is the dominant issue stymieing the push of quantum algorithms beyond their classical counterparts. We do not…”
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20
Strong Electron Correlation in Materials from Pair-Interacting Model Hamiltonians
Published in Journal of physical chemistry. C (02-07-2015)“…Strong electron correlation in materials is explored within a class of model Hamiltonians that treat only pair interactions between electrons. The model is…”
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