Quantum Computing for Life Science Simulations and Optimizations.pdf

1、Some of our efforts at the Novo Nordisk Foundation Quantum Computing Programme towards meaningful use cases of QC in life-science.What will it take to open up the(life-science)application space for quantum computing?Gemma C.Solomon,Scientific Director for Algorithms and Applications,The Novo Nordisk

2、 Foundation Quantum Computing Programme,Niels Bohr Institute,University of CopenhagenWhat will it take to open up the(life-science)application space for quantum computing?SPECIAL FOCUS:QUANTUMNovo Nordisk Foundation Quantum Computing Programme(NQCP):The programme mission is to enable the development

3、 of fault tolerant quantum computing hardware and quantum algorithms that solve life-science relevant chemical and biological problems.Funded by the Novo Nordisk Foundation(NQCP 1,1BN DKK,QF 400M DKK)Qubit-agnostic at the momentFull stack quantum computing R&D for life sciencesOpen university resear

4、ch in combination with proprietary enabling tools manufacturingEducation and work force development2023203120332035Scaling202720252029PathfinderPreparationDemonstrate QPU hardware suitable for practical fault tolerant quantum computing Applying Quantum Computing for practical use in life sciencesWor

5、ld class Infrastructure and capabilities for pathfinder phase establishedOur timelineWere hoping there will be a quantum computer around herePhoto credit:https:/www.chalmers.se/en/centres/wacqt/Incredible technology in its infancyBut what what needs to be solved to use QC for chemistry/physics/life-

6、science today?Use revolutionary new technology(with unknown/variable performance specs)Develop new methods for this technologyCompensate for the limitations of the technologyDemonstrate that there is an advantage to this technologyImprove our understanding of the physical worldNow!(please)Towards ap

7、plications of QC:questions posedWhats a hard problem in chemistry?Whats the Hamiltonian?What about nitrogenase?None of these are the typical questions a chemists would askConsider nitrogenase:a computational challengeImage credit:https:/www.pnas.org/doi/full/10.1073/pnas.1619152114QC is part of a hy

8、brid computing workflowImage credit:https:/www.pnas.org/doi/full/10.1073/pnas.1619152114“Advantage”only if QC part of the workflow is the time/understanding bottleneckA Cultural Divide:questions,strategy,impactPureAppliedMathematicsComputer science(some)PhysicsChemistryBiologyMedicine1.(Re)Consider

9、the questions we askSo where do we find these problems?Id dont have these waiting on my shelf2.Redefine what we consider“work”What about Protein dynamicsBioinformaticsBinding free energy for drugs/ligandsUnstructured proteinsMolecular dynamicsIm surprised no one has thought of this we need to change

10、 how the field tackles problems together3.Communicate negative resultsThere are many groups who want/need to be part of this conversationLots of different perspectives but one thing is clear.How else can we bridge the communication gap?HardwareOur solution:restructure information in an use case to a

11、lgorithms database/website4.Reduce communication barriersLearning by doingPhoto credit:Niels Bohr ArchiveBohr&Einstein,1925Call to action1.(Re)Consider the questions we ask2.Redefine what we consider work3.Communicate negative results4.Reduce communication barriersAndreas Juul Bay SmidtMedha GhoshAdam LewisAcknowledgementsThank you!