ORCID Profile
0000-0002-8277-4434
Current Organisation
University of Toronto
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In Research Link Australia (RLA), "Research Topics" refer to ANZSRC FOR and SEO codes. These topics are either sourced from ANZSRC FOR and SEO codes listed in researchers' related grants or generated by a large language model (LLM) based on their publications.
Analysis of Algorithms and Complexity | Mathematical Aspects of Classical Mechanics, Quantum Mechanics and Quantum Information Theory | Quantum Physics | Quantum Information, Computation and Communication |
Expanding Knowledge in the Physical Sciences | Expanding Knowledge in the Information and Computing Sciences | Expanding Knowledge in the Mathematical Sciences
Publisher: IOP Publishing
Date: 07-2012
Publisher: AIP Publishing
Date: 18-05-2009
DOI: 10.1063/1.3115177
Abstract: While quantum computers are capable of simulating many quantum systems efficiently, the simulation algorithms must begin with the preparation of an appropriate initial state. We present a method for generating physically relevant quantum states on a lattice in real space. In particular, the present algorithm is able to prepare general pure and mixed many-particle states of any number of particles. It relies on a procedure for converting from a second-quantized state to its first-quantized counterpart. The algorithm is efficient in that it operates in time that is polynomial in all the essential descriptors of the system, the number of particles, the resolution of the lattice, and the inverse of the maximum final error. This scaling holds under the assumption that the wave function to be prepared is bounded or its indefinite integral is known and that the Fock operator of the system is efficiently simulatable.
Publisher: Wiley
Date: 27-05-2008
DOI: 10.1002/JRS.1985
Publisher: Proceedings of the National Academy of Sciences
Date: 02-12-2008
Abstract: The computational cost of exact methods for quantum simulation using classical computers grows exponentially with system size. As a consequence, these techniques can be applied only to small systems. By contrast, we demonstrate that quantum computers could exactly simulate chemical reactions in polynomial time. Our algorithm uses the split-operator approach and explicitly simulates all electron-nuclear and interelectronic interactions in quadratic time. Surprisingly, this treatment is not only more accurate than the Born–Oppenheimer approximation but faster and more efficient as well, for all reactions with more than about four atoms. This is the case even though the entire electronic wave function is propagated on a grid with appropriately short time steps. Although the preparation and measurement of arbitrary states on a quantum computer is inefficient, here we demonstrate how to prepare states of chemical interest efficiently. We also show how to efficiently obtain chemically relevant observables, such as state-to-state transition probabilities and thermal reaction rates. Quantum computers using these techniques could outperform current classical computers with 100 qubits.
Publisher: American Chemical Society (ACS)
Date: 03-09-2010
DOI: 10.1021/JZ1008714
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/D0CS00098A
Abstract: Word cloud summary of erse topics associated with QSAR modeling that are discussed in this review.
Publisher: IOP Publishing
Date: 29-05-2012
Publisher: American Physical Society (APS)
Date: 16-04-2010
Publisher: Springer Science and Business Media LLC
Date: 06-06-2012
DOI: 10.1038/NCOMMS1872
Abstract: Topological phases exhibit some of the most striking phenomena in modern physics. Much of the rich behaviour of quantum Hall systems, topological insulators, and topological superconductors can be traced to the existence of robust bound states at interfaces between different topological phases. This robustness has applications in metrology and holds promise for future uses in quantum computing. Engineered quantum systems--notably in photonics, where wavefunctions can be observed directly--provide versatile platforms for creating and probing a variety of topological phases. Here we use photonic quantum walks to observe bound states between systems with different bulk topological properties and demonstrate their robustness to perturbations--a signature of topological protection. Although such bound states are usually discussed for static (time-independent) systems, here we demonstrate their existence in an explicitly time-dependent situation. Moreover, we discover a new phenomenon: a topologically protected pair of bound states unique to periodically driven systems.
Publisher: Springer Science and Business Media LLC
Date: 10-01-2010
DOI: 10.1038/NCHEM.483
Abstract: Exact first-principles calculations of molecular properties are currently intractable because their computational cost grows exponentially with both the number of atoms and basis set size. A solution is to move to a radically different model of computing by building a quantum computer, which is a device that uses quantum systems themselves to store and process data. Here we report the application of the latest photonic quantum computer technology to calculate properties of the smallest molecular system: the hydrogen molecule in a minimal basis. We calculate the complete energy spectrum to 20 bits of precision and discuss how the technique can be expanded to solve large-scale chemical problems that lie beyond the reach of modern supercomputers. These results represent an early practical step toward a powerful tool with a broad range of quantum-chemical applications.
Publisher: Annual Reviews
Date: 05-05-2011
DOI: 10.1146/ANNUREV-PHYSCHEM-032210-103512
Abstract: The difficulty of simulating quantum systems, well known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum systems on conventional computers, by mapping the quantum system to another, more controllable one. In this review, we discuss to what extent the ideas in quantum computation, now a well-established field, have been applied to chemical problems. We describe algorithms that achieve significant advantages for the electronic-structure problem, the simulation of chemical dynamics, protein folding, and other tasks. Although theory is still ahead of experiment, we outline recent advances that have led to the first chemical calculations on small quantum information processors.
Publisher: IOP Publishing
Date: 19-10-2018
Publisher: AIP Publishing
Date: 08-12-2009
DOI: 10.1063/1.3266959
Abstract: Quantum computers, if available, could substantially accelerate quantum simulations. We extend this result to show that the computation of molecular properties (energy derivatives) could also be sped up using quantum computers. We provide a quantum algorithm for the numerical evaluation of molecular properties, whose time cost is a constant multiple of the time needed to compute the molecular energy, regardless of the size of the system. Molecular properties computed with the proposed approach could also be used for the optimization of molecular geometries or other properties. For that purpose, we discuss the benefits of quantum techniques for Newton’s method and Householder methods. Finally, global minima for the proposed optimizations can be found using the quantum basin hopper algorithm, which offers an additional quadratic reduction in cost over classical multi-start techniques.
Publisher: American Physical Society (APS)
Date: 20-01-2010
Publisher: American Physical Society (APS)
Date: 12-12-2012
Publisher: IOP Publishing
Date: 07-12-2018
Publisher: IOP Publishing
Date: 03-03-2009
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/D0CS90041A
Abstract: Correction for ‘QSAR without borders’ by Eugene N. Muratov et al. , Chem. Soc. Rev. , 2020, DOI: 10.1039/d0cs00098a.
Publisher: IEEE
Date: 05-2011
Publisher: American Chemical Society (ACS)
Date: 30-08-2019
DOI: 10.1021/ACS.CHEMREV.8B00803
Abstract: Practical challenges in simulating quantum systems on classical computers have been widely recognized in the quantum physics and quantum chemistry communities over the past century. Although many approximation methods have been introduced, the complexity of quantum mechanics remains hard to appease. The advent of quantum computation brings new pathways to navigate this challenging and complex landscape. By manipulating quantum states of matter and taking advantage of their unique features such as superposition and entanglement, quantum computers promise to efficiently deliver accurate results for many important problems in quantum chemistry, such as the electronic structure of molecules. In the past two decades, significant advances have been made in developing algorithms and physical hardware for quantum computing, heralding a revolution in simulation of quantum systems. This Review provides an overview of the algorithms and results that are relevant for quantum chemistry. The intended audience is both quantum chemists who seek to learn more about quantum computing and quantum computing researchers who would like to explore applications in quantum chemistry.
Start Date: 2016
End Date: 09-2019
Amount: $435,700.00
Funder: Australian Research Council
View Funded Activity