Robust quantum simulation for near-term realizable quantum hardware
Abstract not provided.
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Jump to search filtersAccurate and efficient simulations of donors in silicon
arXiv posting
Abstract not provided.
Rapid simulation of donors in silicon using internally consistent effective mass theory
Abstract not provided.
Maximum entropy quantum simulation
Abstract not provided.
Maximum entropy quantum simulation
Abstract not provided.
Quadratic constrained mixed discrete optimization with an adiabatic quantum optimizer
Physical Review. A
Abstract not provided.
Acceleration of screened-exchange density-functional calculations with approximate differential overlap
Abstract not provided.
Cubic-scaling algorithm and self-consistent field for the random-phase approximation with second-order screened exchange
Journal of Chemical Physics
The random-phase approximation with second-order screened exchange (RPA+SOSEX) is a model of electron correlation energy with two caveats: its accuracy depends on an arbitrary choice of mean field, and it scales as O(n 5) operations and O(n3) memory for n electrons. We derive a new algorithm that reduces its scaling to O(n3) operations and O(n2) memory using controlled approximations and a new self-consistent field that approximates Brueckner coupled-cluster doubles theory with RPA+SOSEX, referred to as Brueckner RPA theory. The algorithm comparably reduces the scaling of second-order Møller-Plesset perturbation theory with smaller cost prefactors than RPA+SOSEX. Within a semiempirical model, we study H2 dissociation to test accuracy and Hn rings to verify scaling. © 2014 AIP Publishing LLC.
Comment on %22Self-Averaging Stochastic Kohn-Sham Density-Functional Theory%22
Physical Review Letters
Abstract not provided.
Comment on %22Adiabatic Quantum Algorithm for Search Engine Ranking%22
Physical Review Letters
Abstract not provided.
Simulation and modeling of the electronic structure of GaAs damage clusters
Journal of Applied Physics
In an effort to build a stronger microscopic foundation for radiation damage models in gallium arsenide (GaAs), the electronic properties of radiation-induced damage clusters are studied with atomistic simulations. Molecular dynamics simulations are used to access the time and length scales required for direct simulation of a collision cascade, and density functional theory simulations are used to calculate the electronic properties of isolated damaged clusters that are extracted from these cascades. To study the physical properties of clusters, we analyze the statistics of a randomly generated ensemble of damage clusters because no single cluster adequately represents this class of defects. The electronic properties of damage clusters are accurately described by a classical model of the electrical charging of a semiconducting sphere embedded in a uniform dielectric. The effective band gap of the cluster depends on the degree of internal structural damage, and the gap closes to form a metal in the high-damage limit. We estimate the Fermi level of this metallic state, which corresponds to high-energy amorphous GaAs, to be 0.46 ± 0.07 eV above the valence band edge of crystalline GaAs. © 2013 American Institute of Physics.
Cubic-scaling algorithm and self-consistent mean field for the random-phase approximation with second-order screened exchange
Abstract not provided.
Numerical integration of an electron exchange hole with a screened Coulomb interaction
Proposed for publication in Computer Physics Communications.
Abstract not provided.
Generalized unitary Bogoliubov transformation that breaks fermion number parity
Proposed for publication in Physical Review B.
Abstract not provided.
Comment on %22Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning%22
Physical Review Letters
Abstract not provided.
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