Browsing University of Waterloo by Author "Iouchtchenko, Dmitri"
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Algorithms for quantum molecular dynamics: from matrix product states to path integrals
Iouchtchenko, Dmitri (University of Waterloo, 2021-01-13)This thesis describes several novel approaches in quantum molecular dynamics for obtaining properties of molecular systems in different regimes. We investigate ground state properties of chains of linear rotors with ... -
Comparison of the multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) method and the density matrix renormalization group (DMRG) for ground state properties of linear rotor chains
Mainali, Samrit; Gatti, Fabien; Iouchtchenko, Dmitri; Roy, Pierre-Nicholas; Meyer, Hans-Dieter (AIP, 2021-05-05)We demonstrate the applicability of the Multi-Layer Multi-Configuration Time-Dependent Hartree (ML-MCTDH) method to the problem of computing ground states of one-dimensional chains of linear rotors with dipolar interactions. ... -
Entangling qubit registers via many-body states of ultracold atoms
Melko, Roger; Herdman, Chris; Iouchtchenko, Dmitri; Roy, Pierre-Nicholas; Del Maestro, Adrian (American Physical Society, 2016-04-25)Inspired by the experimental measurement of the Rényi entanglement entropy in a lattice of ultracold atoms by Islam et al. [Nature (London) 528, 77 (2015)], we propose a method to entangle two spatially separated qubits ... -
Ground states of linear rotor chains via the density matrix renormalization group
Iouchtchenko, Dmitri; Roy, Pierre-Nicholas (American Institute of Physics, 2018-04-04)In recent years, experimental techniques have enabled the creation of ultracold optical lattices of molecules and endofullerene peapod nanomolecular assemblies. It was previously suggested that the rotor model resulting ... -
Neural network enhanced measurement efficiency for molecular groundstates
Iouchtchenko, Dmitri; Gonthier, Jérôme F.; Perdomo-Ortiz, Alejandro; Melko, Roger (IOP Publishing, 2023-02-09)It is believed that one of the first useful applications for a quantum computer will be the preparation of groundstates of molecular Hamiltonians. A crucial task involving state preparation and readout is obtaining physical ... -
A path integral ground state replica trick approach for the computation of entanglement entropy of dipolar linear rotors
Sahoo, Tapas; Iouchtchenko, Dmitri; Herdman, C. M.; Roy, Pierre-Nicholas (AIP Publishing, 2020-05-14)We calculate the second Rényi entanglement entropy for systems of interacting linear rotors in their ground state as a measure of entanglement for continuous rotational degrees of freedom. The entropy is defined in relation ... -
A path integral methodology for obtaining thermodynamic properties of nonadiabatic systems using Gaussian mixture distributions
Raymond, Neil; Iouchtchenko, Dmitri; Roy, Pierre-Nicholas; Nooijen, Marcel (American Institute of Physics, 2018-05)We introduce a new path integral Monte Carlo method for investigating nonadiabatic systems in thermal equilibrium and demonstrate an approach to reducing stochastic error. We derive a general path integral expression for ... -
Quantifying entanglement of rotor chains using basis truncation: Application to dipolar endofullerene peapods
Halverson, Tom; Iouchtchenko, Dmitri; Roy, Pierre-Nicholas (American Institute of Physics, 2018-02-21)We propose a variational approach for the calculation of the quantum entanglement entropy of assemblies of rotating dipolar molecules. A basis truncation scheme based on the total angular momentum quantum number is proposed. ... -
Reconstructing quantum molecular rotor ground states
De Vlugt, Isaac J. S.; Iouchtchenko, Dmitri; Merali, Ejaaz; Roy, Pierre-Nicholas; Melko, Roger (Physical Review B, 2020-07-06)Nanomolecular assemblies of C60 can be synthesized to enclose dipolar molecules. The low-temperature states of such endofullerenes are described by quantum mechanical rotors, which are candidates for quantum information ... -
Variations on PIGS: Non-standard approaches for imaginary-time path integrals
Iouchtchenko, Dmitri (University of Waterloo, 2015-08-21)The second Rényi entropy has been used as a measure of entanglement in various model systems, including those on a lattice and in the continuum. The present work focuses on extending the existing ideas to measurement of ...