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. 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.
[2]
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.
[3]
D. Massaro et al.,
"Direct numerical simulation of the turbulent flow around a Flettner rotor,"
Scientific Reports, vol. 14, no. 1, 2024.
[4]
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.
[5]
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.
[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]
M. Khan et al.,
"Rheology of concentrated fiber suspensions with a load-dependent friction coefficient,"
Physical Review Fluids, vol. 8, no. 4, 2023.
[8]
M. Karp et al.,
"Large-scale direct numerical simulations of turbulence using GPUs and modern Fortran,"
The international journal of high performance computing applications, pp. 109434202311586, 2023.
[9]
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.
[10]
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.
[11]
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.
[12]
M. Brand et al.,
"Efficient and Parallel Implementation of Real and Complex Response Functions Employing the Second-Order Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator,"
Journal of Chemical Theory and Computation, vol. 20, no. 1, pp. 103-113, 2023.
[13]
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.
[14]
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.
[15]
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.
[16]
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.
[17]
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.
[18]
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.
[19]
N. Jansson et al.,
"Exploring the Ultimate Regime of Turbulent Rayleigh–Bénard Convection Through Unprecedented Spectral-Element Simulations,"
in SC '23: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, 2023, pp. 1-9.
[20]
M. Karp et al.,
"Uncertainty Quantification of Reduced-Precision Time Series in Turbulent Channel Flow,"
in Proceedings of 2023 SC Workshops of the International Conference on High Performance Computing, Network, Storage, and Analysis, SC Workshops 2023, 2023, pp. 387-390.
[21]
A. Alekseenko and S. Pall,
"Comparing the Performance of SYCL Runtimes for Molecular Dynamics Applications,"
in International Workshop on OpenCL (IWOCL ’23), 2023.
[22]
B. Sadhukhan et al.,
"Spin-lattice couplings in two-dimensional CrI3 from first-principles computations,"
Physical Review B, vol. 105, no. 10, 2022.
[23]
E. Kliuchnikov et al.,
"Microtubule assembly and disassembly dynamics model : Exploring dynamic instability and identifying features of Microtubules' Growth, Catastrophe, Shortening, and Rescue,"
Computational and Structural Biotechnology Journal, vol. 20, pp. 953-974, 2022.
[24]
N. L. Asquith et al.,
"Fibrin protofibril packing and clot stability are enhanced by extended knob-hole interactions and catch-slip bonds,"
Blood Advances, vol. 6, no. 13, pp. 4015-4027, 2022.
[25]
E. Kliuchnikov et al.,
"CellDynaMo-stochastic reaction-diffusion-dynamics model : Application to search-and-capture process of mitotic spindle assembly,"
PloS Computational Biology, vol. 18, no. 6, 2022.