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Research papers by PDC staff

Here is a list of recently published research papers by PDC staff members. For a full list of publications by PDC staff, use the link at the end of the page.

Note that for some of the papers you might need to click on "Show others and affiliations" to see the authors from PDC. 

[1]
N. Jansson et al., "Design of Neko—A Scalable High‐Fidelity Simulation Framework With Extensive Accelerator Support," Concurrency and Computation, vol. 37, no. 2, 2025.
[2]
[4]
M. Majdolhosseini, S. Kleiven and A. Villa, "Molecular dynamics study of stiffness and rupture of axonal membranes," Brain Research Bulletin, vol. 223, 2025.
[5]
J. A. de Gracia Triviño and M. S. G. Ahlquist, "Removing the Barrier in O-O Bond Formation Via the Combination of Intramolecular Radical Coupling and the Oxide Relay Mechanism," Journal of Physical Chemistry A, vol. 128, no. 19, pp. 3794-3800, 2024.
[6]
A. Alekseenko, S. Pall and E. Lindahl, "GROMACS on AMD GPU-Based HPC Platforms : Using SYCL for Performance and Portability," in CUG2024 Proceedings, 2024.
[7]
G. Schieffer et al., "On the Rise of AMD Matrix Cores: Performance, Power Efficiency, and Programmability," in Proceedings - 2024 IEEE International Symposium on Performance Analysis of Systems and Software, ISPASS 2024, 2024, pp. 132-143.
[8]
P. R. Hegde et al., "Beyond the Buzz : Strategic Paths for Enabling Useful NISQ Applications," in Proceedings of the 21st ACM International Conference on Computing Frontiers, CF 2024, 2024, pp. 310-313.
[9]
S. Markidis, M. Gokhale and I. B. Peng, "Message from the ICPP'24 Chairs," in ACM International Conference Proceeding Series, 2024.
[10]
S. Nassyr and D. Pleiter, "Exploring Processor Micro-architectures Optimised for BLAS3 Micro-kernels," in Euro-Par 2024: Parallel Processing - 30th European Conference on Parallel and Distributed Processing, Proceedings, 2024, pp. 47-61.
[11]
N. Jansson et al., "Neko: A modern, portable, and scalable framework for high-fidelity computational fluid dynamics," Computers & Fluids, vol. 275, pp. 106243-106243, 2024.
[12]
D. Massaro et al., "Direct numerical simulation of the turbulent flow around a Flettner rotor," Scientific Reports, vol. 14, no. 1, 2024.
[13]
N. Krahn et al., "tRNA shape is an identity element for an archaeal pyrrolysyl-tRNA synthetase from the human gut," Nucleic Acids Research, vol. 52, no. 2, pp. 513-524, 2024.
[14]
M. Karp et al., "Experience and analysis of scalable high-fidelity computational fluid dynamics on modular supercomputing architectures," The international journal of high performance computing applications, 2024.
[15]
N. Jansson et al., "Neko : A Modern, Portable, and Scalable Framework for Extreme-Scale Computational Fluid Dynamics," in 2024 IEEE International Conference on Cluster Computing workshops, cluster workshops 2024, 2024, pp. 156-157.
[16]
G. Vistoli et al., "MEDIATE - Molecular DockIng at homE: Turning collaborative simulations into therapeutic solutions," Expert Opinion on Drug Discovery, vol. 18, no. 8, pp. 821-833, 2023.
[17]
M. Majdolhosseini et al., "Which part of axonal membrane is the most vulnerable : A molecular dynamics/Finite Element study," European Biophysics Journal, vol. 52, no. SUPPL 1, pp. S39-S39, 2023.
[18]
Y. Ju et al., "In-Situ Techniques on GPU-Accelerated Data-Intensive Applications," in Proceedings 2023 IEEE 19th International Conference on e-Science, e-Science 2023, 2023.
[20]
E. Nocerino et al., "Q-dependent electron-phonon coupling induced phonon softening and non-conventional critical behavior in the CDW superconductor LaPt2Si2," Journal of Science: Advanced Materials and Devices, vol. 8, no. 4, 2023.
[21]
S. W.D. Chien et al., "Improving Cloud Storage Network Bandwidth Utilization of Scientific Applications," in Proceedings of the 7th Asia-Pacific Workshop on Networking, APNET 2023, 2023, pp. 172-173.
[22]
R. E. Smail et al., "Constraining beyond the standard model nucleon isovector charges," Physical Review D : covering particles, fields, gravitation, and cosmology, vol. 108, no. 9, 2023.
[23]
M. N. Hasan et al., "Magnetism in A V3Sb5 (A=Cs, Rb, and K): Origin and Consequences for the Strongly Correlated Phases," Physical Review Letters, vol. 131, no. 19, 2023.
[24]
D. Karmakar et al., "Magnetism in A V3Sb5 (A=Cs, Rb, K): Complex landscape of dynamical magnetic textures," Physical Review B, vol. 108, no. 17, 2023.
[25]
G. Netzer and S. Markidis, "QHDL : a Low-Level Circuit Description Language for Quantum Computing," in Proceedings of the 20th ACM International Conference on Computing Frontiers 2023, CF 2023, 2023, pp. 201-204.
Full list in the KTH publications portal