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@ARTICLE{DiazPier:1029374,
      author       = {Diaz-Pier, Sandra and Carloni, Paolo},
      title        = {{I}mpact of quantum and neuromorphic computing on
                      biomolecular simulations: {C}urrent status and perspectives},
      journal      = {Current opinion in structural biology},
      volume       = {87},
      issn         = {0959-440X},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier},
      reportid     = {FZJ-2024-05083},
      pages        = {102817},
      year         = {2024},
      abstract     = {New high-performance computing architectures are becoming
                      operative, in addition to exascale computers. Quantum
                      computers (QC) solve optimization problems with
                      unprecedented efficiency and speed, while neuromorphic
                      hardware (NMH) simulates neural network dynamics. Albeit, at
                      the moment, both find no practical use in all atom
                      biomolecular simulations, QC might be exploited in the
                      not-too-far future to simulate systems for which electronic
                      degrees of freedom play a key and intricate role for
                      biological function, whereas NMH might accelerate molecular
                      dynamics simulations with low energy consumption. Machine
                      learning and artificial intelligence algorithms running on
                      NMH and QC could assist in the analysis of data and speed up
                      research. If these implementations are successful, modular
                      supercomputing could further dramatically enhance the
                      overall computing capacity by combining highly optimized
                      software tools into workflows, linking these architectures
                      to exascale computers.},
      cin          = {INM-9 / JSC},
      ddc          = {570},
      cid          = {I:(DE-Juel1)INM-9-20140121 / I:(DE-Juel1)JSC-20090406},
      pnm          = {5241 - Molecular Information Processing in Cellular Systems
                      (POF4-524) / 5111 - Domain-Specific Simulation $\&$ Data
                      Life Cycle Labs (SDLs) and Research Groups (POF4-511) / JL
                      SMHB - Joint Lab Supercomputing and Modeling for the Human
                      Brain (JL SMHB-2021-2027) / SLNS - SimLab Neuroscience
                      (Helmholtz-SLNS) / DFG project 491111487 -
                      Open-Access-Publikationskosten / 2022 - 2024 /
                      Forschungszentrum Jülich (OAPKFZJ) (491111487)},
      pid          = {G:(DE-HGF)POF4-5241 / G:(DE-HGF)POF4-5111 / G:(DE-Juel1)JL
                      SMHB-2021-2027 / G:(DE-Juel1)Helmholtz-SLNS /
                      G:(GEPRIS)491111487},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {38795562},
      UT           = {WOS:001246972300001},
      doi          = {10.1016/j.sbi.2024.102817},
      url          = {https://juser.fz-juelich.de/record/1029374},
}