Reference number : GC-2017-Q3-00536, amendment number : , agreement type : G, recipient legal name : Izmaylov, Artur (University of Toronto), recipient country : CA, recipient province : nan, recipient city : Ontario, recipient postal code : nan, program name english : Engage Grants for universities, program name french : Subventions d'engagement partenarial pour les universités, program purpose english : OTI Lumionics is developing more flexible and energy efficient organic light emitting diodes (OLEDs), which_x000D_
are crucial for the further advancement of many imaging and light emitting technologies such as portable_x000D_
electronic devices, flat-screen TVs, and ultra-thin desk lamps. Computational search for better materials is at_x000D_
the heart of this development. New emerging technologies of quantum computing promise unprecedented_x000D_
accuracy and efficiency in performing the necessary calculations. However, there are no general procedures in_x000D_
place to engage the quantum computer in these calculations. In other words, not only there is no routinely used_x000D_
software for this task but also there is not even a general formulation of a computational problem that can be_x000D_
used for the quantum computer. The main aim of this proposal is to create a universal procedure where a_x000D_
molecular structure will be an input, and a computational problem formulated in terms clear for the quantum_x000D_
computer will be an output. This procedure will be used by OTI Lumionics for performing the computational_x000D_
search on the 2000Q D-Wave quantum computer (D-Wave Systems, Vancouver BC). These developments will_x000D_
be able to remove the main bottleneck in the computational search process not only for OLEDs but in many_x000D_
molecular design processes: pharmaceutical compounds, solar cell materials, compounds of portable batteries,_x000D_
better catalysts for various chemical reactions, to name a few. Building a general computer code that can_x000D_
involve the D-Wave quantum computer to solve this wide range of problems will provide a long-term potential_x000D_
boost to many sectors of Canadian economy., program purpose french : OTI Lumionics is developing more flexible and energy efficient organic light emitting diodes (OLEDs), which_x000D_
are crucial for the further advancement of many imaging and light emitting technologies such as portable_x000D_
electronic devices, flat-screen TVs, and ultra-thin desk lamps. Computational search for better materials is at_x000D_
the heart of this development. New emerging technologies of quantum computing promise unprecedented_x000D_
accuracy and efficiency in performing the necessary calculations. However, there are no general procedures in_x000D_
place to engage the quantum computer in these calculations. In other words, not only there is no routinely used_x000D_
software for this task but also there is not even a general formulation of a computational problem that can be_x000D_
used for the quantum computer. The main aim of this proposal is to create a universal procedure where a_x000D_
molecular structure will be an input, and a computational problem formulated in terms clear for the quantum_x000D_
computer will be an output. This procedure will be used by OTI Lumionics for performing the computational_x000D_
search on the 2000Q D-Wave quantum computer (D-Wave Systems, Vancouver BC). These developments will_x000D_
be able to remove the main bottleneck in the computational search process not only for OLEDs but in many_x000D_
molecular design processes: pharmaceutical compounds, solar cell materials, compounds of portable batteries,_x000D_
better catalysts for various chemical reactions, to name a few. Building a general computer code that can_x000D_
involve the D-Wave quantum computer to solve this wide range of problems will provide a long-term potential_x000D_
boost to many sectors of Canadian economy., agreement title english : Adiabatic Quantum Computing of Molecular Electronic Structure on the 2000Q D-Wave Quantum Computer, agreement title french : Adiabatic Quantum Computing of Molecular Electronic Structure on the 2000Q D-Wave Quantum Computer, agreement number : EGP, agreement value : 25000.0, agreement start date : 2017-12-13, agreement end date : nan, description english : nan, description french : nan, expected results english : nan, expected results french : nan, additional information english : Grant or Award spanning more than one fiscal year (2017-2018 to 2018-2019)., additional information french : Subvention ou bourse octroyée s'appliquant à plus d'un exercice financier (2017-2018 à 2018-2019)., owner organization : nserc-crsng, owner organization title : Natural Sciences and Engineering Research Council of Canada | Conseil de recherches en sciences naturelles et en génie du Canada