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Adiabatic Quantum Simulation of Quantum Chemistry
Ryan Babbush, Peter J. Love, Alán Aspuru-Guzik
We show how to apply the quantum adiabatic algorithm directly to the quantum computation of molecular properties. We describe a procedure to map electronic structure Hamiltonians t…
Computational complexity of time-dependent density functional theory
J. D. Whitfield, M. -H. Yung, D. G. Tempel +2
Time-dependent density functional theory (TDDFT) is rapidly emerging as a premier method for solving dynamical many-body problems in physics and chemistry. The mathematical foundat…
Parametric Hierarchical Matrix Approach for the Wideband Optical Response of Large-Scale Molecular Aggregates
Davood Ansari-Oghol-Beig, Masoud Rostami, Ekaterina Chernobrovkina +4
Fast and efficient calculations of optical responses using electromagnetic models require computational acceleration and compression techniques. A hierarchical matrix approach is a…
Coherent exciton dynamics in supramolecular light-harvesting nanotubes revealed by ultrafast quantum process tomography
Joel Yuen-Zhou, Dylan H. Arias, Dorthe M. Eisele +5
Long-lived exciton coherences have been recently observed in photosynthetic complexes via ultrafast spectroscopy, opening exciting possibilities for the study and design of coheren…
Thermodynamics of quantum coherence
César A. Rodríguez-Rosario, Thomas Frauenheim, Alán Aspuru-Guzik
Quantum decoherence is seen as an undesired source of irreversibility that destroys quantum resources. Quantum coherences seem to be a property that vanishes at thermodynamic equil…
Resource Efficient Gadgets for Compiling Adiabatic Quantum Optimization Problems
Ryan Babbush, Bryan O'Gorman, Alán Aspuru-Guzik
We develop a resource efficient method by which the ground-state of an arbitrary k-local, optimization Hamiltonian can be encoded as the ground-state of a (k-1)-local optimization…