Search Results - "Mazziotti, David A"

Enhanced Constraints for Accurate Lower Bounds on Many-Electron Quantum Energies from Variational Two-Electron Reduced Density Matrix Theory by Mazziotti, David A

“…A central challenge of physics is the computation of strongly correlated quantum systems. The past ten years have witnessed the development and application of…”
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Two-Electron Reduced Density Matrix as the Basic Variable in Many-Electron Quantum Chemistry and Physics by Mazziotti, David A

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Anti-hermitian contracted schrödinger equation: direct determination of the two-electron reduced density matrices of many-electron molecules by Mazziotti, David A

“…Two-electron reduced density matrices (2-RDMs) of many-electron molecules are directly determined without calculation of their wave functions by solving the…”
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Quantum simulation of molecules without fermionic encoding of the wave function by Mazziotti, David A, Smart, Scott E, Mazziotti, Alexander R

“…Abstract Molecular simulations generally require fermionic encoding in which fermion statistics are encoded into the qubit representation of the wave function…”
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Quantum simulation of bosons with the contracted quantum eigensolver by Wang, Yuchen, Sager-Smith, LeeAnn M, Mazziotti, David A

“…Abstract Quantum computers are promising tools for simulating many-body quantum systems due to their potential scaling advantage over classical computers…”
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Quantum simulation of excited states from parallel contracted quantum eigensolvers by Benavides-Riveros, Carlos L, Wang, Yuchen, Warren, Samuel, Mazziotti, David A

“…Abstract Computing excited-state properties of molecules and solids is considered one of the most important near-term applications of quantum computers. While…”
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Entangled Electrons Foil Synthesis of Elusive Low-Valent Vanadium Oxo Complex by Schlimgen, Anthony W, Heaps, Charles W, Mazziotti, David A

“…We examine the recently reported first synthesis of the elusive low-valent vanadium­(III) in a vanadium oxo complex with a computation representing 1021…”
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Realization of quantum chemistry without wave functions through first-order semidefinite programming by MAZZIOTTI, David A

“…Determining the energy and properties of an N-electron molecule through a two-electron variational optimization has been a dream for more than half a century…”
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Strong Correlation in Acene Sheets from the Active-Space Variational Two-Electron Reduced Density Matrix Method: Effects of Symmetry and Size by Pelzer, Kenley, Greenman, Loren, Gidofalvi, Gergely, Mazziotti, David A

“…Polyaromatic hydrocarbons (PAHs) are a class of organic molecules with importance in several branches of science, including medicine, combustion chemistry, and…”
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Energy barriers in the conversion of bicyclobutane to gauche-1,3-butadiene from the anti-hermitian contracted Schrödinger equation by Mazziotti, David A

“…In 1959 Charles Coulson popularized the idea of computing a molecule's ground-state energy as a functional of the two-electron reduced density matrix (2-RDM)…”
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Structure of fermionic density matrices: complete N-representability conditions by Mazziotti, David A

“…We present a constructive solution to the N-representability problem: a full characterization of the conditions for constraining the two-electron reduced…”
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Quantum Many-Body Theory from a Solution of the N-Representability Problem by Mazziotti, David A

“…Here we present a many-body theory based on a solution of the N-representability problem in which the ground-state two-particle reduced density matrix (2-RDM)…”
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Quantum Chemistry without Wave Functions:  Two-Electron Reduced Density Matrices by Mazziotti, David A

“…For 50 years, progress toward the direct calculation of the ground-state two-electron reduced density matrix (2-RDM) was stymied from an inability to constrain…”
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Relaxation of stationary states on a quantum computer yields a unique spectroscopic fingerprint of the computer’s noise by Smart, Scott E., Hu, Zixuan, Kais, Sabre, Mazziotti, David A.

“…Quantum computing has the potential to revolutionize computing, but its significant sensitivity to noise requires sophisticated error correction and…”
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Quantum Solver of Contracted Eigenvalue Equations for Scalable Molecular Simulations on Quantum Computing Devices by Smart, Scott E, Mazziotti, David A

“…The accurate computation of ground and excited states of many-fermion quantum systems is one of the most consequential, contemporary challenges in the physical…”
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Open quantum system violates generalized Pauli constraints on quantum device by Avdic, Irma, Sager-Smith, LeeAnn M., Mazziotti, David A.

“…The Pauli exclusion principle governs the fundamental structure and function of fermionic systems from molecules to materials. Nonetheless, when such a…”
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Approximate solution for electron correlation through the use of Schwinger probes by Mazziotti, David A

“…Quantum energies and two-particle reduced density matrices (2-rdms) may be determined without using the N-particle wavefunction by combining the reconstruction…”
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Large-scale semidefinite programming for many-electron quantum mechanics by Mazziotti, David A

“…The energy of a many-electron quantum system can be approximated by a constrained optimization of the two-electron reduced density matrix (2-RDM) that is…”
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Fewer Measurements from Shadow Tomography with N-Representability Conditions by Avdic, Irma, Mazziotti, David A

“…Classical shadow tomography provides a randomized scheme for approximating the quantum state and its properties at reduced computational cost with applications…”
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Author Correction: Relaxation of stationary states on a quantum computer yields a unique spectroscopic fingerprint of the computer’s noise by Smart, Scott E., Hu, Zixuan, Kais, Sabre, Mazziotti, David A.

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