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]
Y. Chen et al.,
"Enabling mixed-precision in spectral element codes,"
Future Generation Computer Systems, vol. 174, 2026.
[2]
M. Karp et al.,
"Effects of lower floating-point precision on scale-resolving numerical simulations of turbulence,"
Journal of Computational Physics, vol. 549, 2026.
[3]
S. Du et al.,
"Assessment of the gradient jump penalisation in large-eddy simulations of turbulence,"
Acta Mechanica, 2026.
[4]
J. H. Andersen et al.,
"VeloxChem: Large-Scale DFT Calculations of Geometric Derivatives up to Second Order for Simulation of IR Spectra,"
Journal of Physical Chemistry A, vol. 130, no. 2, pp. 569-580, 2026.
[5]
D. Carrasco Busturia et al.,
"Multiphoton Absorption Spectra of Channelrhodopsin-2 via Multiscale Simulation Methods,"
Journal of Chemical Theory and Computation, vol. 22, no. 2, pp. 1133-1148, 2026.
[6]
M. Laudato, L. Manzari and K. Shukla,
"High-Fidelity Description of Platelet Deformation Using a Neural Operator,"
in Scientific Machine Learning : Emerging Topics, Frico Pichi; Gianluigi Rozza; Maria Strazzullo; Davide Torlo Ed., : Springer Nature, 2026, pp. 159-176.
[7]
N. Jansson et al.,
"Task-decomposed Overlapped Preconditioner for Sustained Strong Scalability on Accelerated Exascale Systems,"
in Proceedings of Supercomputing Asia and International Conference on High Performance Computing in Asia Pacific Region, SCA/HPCAsia 2026, 2026, pp. 186-193.
[8]
P. Ohm, G. Harper and N. Jansson,
"A Matrix-Free Algebraic hp-Multigrid Method for Computational Fluid Dynamics Applications,"
in Proceedings of Supercomputing Asia and International Conference on High Performance Computing in Asia Pacific Region, SCA/HPCAsia 2026, 2026, pp. 194-202.
[9]
S. Markidis et al.,
"QPU Micro-Kernels for Stencil Computation,"
in Proceedings of Supercomputing Asia and International Conference on High Performance Computing in Asia Pacific Region, SCA/HPCAsia 2026, 2026, pp. 68-80.
[10]
G. Netzer et al.,
"Tightly-integrated quantum–classical computing using the QHDL hardware description language,"
Future Generation Computer Systems, vol. 174, 2026.
[11]
G. Netzer,
"Hardware-Centric Tightly-Coupled Quantum/Classical Computations : A hardware description language for quantum computing,"
Doctoral thesis Stockholm : KTH Royal Institute of Technology, TRITA-EECS-AVL, 2026:54, 2026.
[12]
Y. Todarwal, M. Linares and P. Norman,
"Molecular Dynamics Study of the Binding of Cationic, Anionic, and Neutral Luminescent Conjugated Ligands to the Alzheimer Folds of Aβ(1–42) and Tau Fibrils,"
ChemBioChem, vol. 27, no. 8, 2026.
[13]
M. Lloret-Llinares et al.,
"Leveraging training expertise to build capacity in computational personalised medicine,"
Bioinformatics Advances, vol. 6, no. 1, 2026.
[14]
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.
[15]
X. Li, M. Linares and P. Norman,
"VeloxChem : GPU-Accelerated Fock Matrix Construction Enabling Complex Polarization Propagator Simulations of Circular Dichroism Spectra of G-Quadruplexes,"
Journal of Physical Chemistry A, vol. 129, no. 2, pp. 633-642, 2025.
[16]
B. Sadhukhan et al.,
"Spin-lattice couplings and effect of displacements on magnetic interactions of a skyrmion system PdFe/Ir(111),"
SciPost Physics, vol. 18, no. 2, 2025.
[17]
J. A. de Gracia Triviño et al.,
"VeloxChem Quantum-Classical Interoperability for Modeling of Complex Molecular Systems,"
Journal of Physical Chemistry A, vol. 129, no. 32, pp. 7575-7587, 2025.
[18]
M. Andersson et al.,
"Portable High-Performance Kernel Generation for a Computational Fluid Dynamics Code with DaCe,"
in Proceedings 31st European Conference on Parallel and Distributed Processing : Heteropar 202523RD International Workshop, 2025.
[19]
K. Kargeti et al.,
"Charge-state dependent spin-orbit coupling and quantum phase transitions in Ir-Ru oxides,"
Physical Review B, vol. 111, no. 19, 2025.
[20]
M. Mousavi et al.,
"Specific chemical determinants are central for achieving ligands for selective detection of amyloid-β deposits in Alzheimer’s disease,"
Australian journal of chemistry (Print), vol. 78, no. 11, 2025.
[21]
P.-E. Eleftherakis et al.,
"POSTER : Performance Portability in GPU-Accelerated Spectral Finite Element Fluid Simulations: A Cross-layer Exploration Approach,"
in Proceedings Of The22Nd Acm International Conference On Computing Frontiers 2025, CF 2025, 2025, pp. 228-229.
[22]
M. Aulnette et al.,
"Transport of spherical microparticles in a three-dimensional vortex flow,"
Physical Review Fluids, vol. 10, no. 12, 2025.
[23]
R. Stanly et al.,
"Direct numerical simulation of a starting rotorat Rec = 15000,"
Journal of Visualization, vol. 28, no. 6, pp. 1083-1090, 2025.
[24]
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, vol. 39, no. 3, pp. 329-344, 2025.
[25]
M. Majdolhosseini, S. Kleiven and A. Villa,
"Molecular dynamics study of stiffness and rupture of axonal membranes,"
Brain Research Bulletin, vol. 223, 2025.