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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},
}