Parallel quantum chemistry on noisy intermediate-scale quantum computers
R. Schade, C. Bauer, K. Tamoev, L. Mazur, C. Plessl, T. Kühne, Phys. Rev. Research 4 (2022) 033160.

Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms
R. Schade, T. Kenter, H. Elgabarty, M. Lass, O. Schütt, A. Lazzaro, H. Pabst, S. Mohr, J. Hutter, T. Kühne, C. Plessl, Parallel Computing 111 (2022).

In-depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs using OpenCL
M. Meyer, T. Kenter, C. Plessl, Journal of Parallel and Distributed Computing (2022).

Stable bipolarons in open quantum systems
M. Moroder, M. Grundner, F. Damanet, U. Schollwöck, S. Mardazad, S. Flannigan, T. Köhler, S. Paeckel, Physical Review B 107, 214310 (2023) (2022).

Statistical analysis of initial state and final state response in  heavy-ion collisions
N. Borghini, M. Borrell, N. Feld, H. Roch, S. Schlichting, C. Werthmann, Phys. Rev. C 107 (2023) 034905 (2022).

Plant mitochondrial RNA editing factors can perform targeted C-to-U editing of nuclear transcripts in human cells
E. Lesch, M.T. Schilling, S. Brenner, Y. Yang, O.J. Gruss, V. Knoop, M. Schallenberg-Rüdinger, Nucleic Acids Research 50 (2022) 9966–9983.

The Strong Scaling Advantage of FPGAs in HPC for N-body Simulations
J. Menzel, C. Plessl, T. Kenter, ACM Transactions on Reconfigurable Technology and Systems 15 (2021) 1–30.

How irreversible are steady-state trajectories of a trapped active particle?
L. Dabelow, S. Bo, R. Eichhorn, Journal of Statistical Mechanics: Theory and Experiment 2021 (2021).

Eigenvalue spectra of QCD and the fate of <mml:math xmlns:mml="http://www..org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>U</mml:mi><mml:mi>A</mml:mi></mml:msub><mml:mo stretchy="false">(</mml:mo><mml:mn>1</mml:mn><mml:mo stretchy="false">)</mml:mo></mml:math> breaking towards the chiral limit
O. Kaczmarek, L. Mazur, S. Sharma, Physical Review D 104 (2021).

Heavy quark momentum diffusion from the lattice using gradient flow
L. Altenkort, A.M. Eller, O. Kaczmarek, L. Mazur, G.D. Moore, H.-T. Shu, Physical Review D 103 (2021).

Sphaleron rate from Euclidean lattice correlators: An exploration
L. Altenkort, A.M. Eller, O. Kaczmarek, L. Mazur, G.D. Moore, H.-T. Shu, Physical Review D 103 (2021).

The HighPerMeshes framework for numerical algorithms on unstructured grids
S. Alhaddad, J. Förstner, S. Groth, D. Grünewald, Y. Grynko, F. Hannig, T. Kenter, F. Pfreundt, C. Plessl, M. Schotte, T. Steinke, J. Teich, M. Weiser, F. Wende, Concurrency and Computation: Practice and Experience (2021) e6616.

Diffusion of the carbon dioxide–ethanol mixture in the extended critical region
R.S. Chatwell, G. Guevara-Carrion, Y. Gaponenko, V. Shevtsova, J. Vrabec, Physical Chemistry Chemical Physics 23 (2021) 3106–3115.

<i>In silico</i> investigation of Cu(In,Ga)Se<sub>2</sub>-based solar cells
H. Mirhosseini, R. Kormath Madam Raghupathy, S.K. Sahoo, H. Wiebeler, M. Chugh, T.D. Kühne, Physical Chemistry Chemical Physics 22 (2020) 26682–26701.

CK: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
T. Kühne, M. Iannuzzi, M.D. Ben, V.V. Rybkin, P. Seewald, F. Stein, T. Laino, R.Z. Khaliullin, O. Schütt, F. Schiffmann, D. Golze, J. Wilhelm, S. Chulkov, M.H.B.-H. Mohammad Hossein Bani-Hashemian, V. Weber, U. Borstnik, M. Taillefumier, A.S. Jakobovits, A. Lazzaro, H. Pabst, T. Müller, R. Schade, M. Guidon, S. Andermatt, N. Holmberg, G.K. Schenter, A. Hehn, A. Bussy, F. Belleflamme, G. Tabacchi, A. Glöß, M. Lass, I. Bethune, C.J. Mundy, C. Plessl, M. Watkins, J. VandeVondele, M. Krack, J. Hutter, The Journal of Chemical Physics 152 (2020).

Accurate Sampling with Noisy Forces from Approximate Computing
V. Rengaraj, M. Lass, C. Plessl, T. Kühne, Computation 8 (2020).

Transparent Acceleration for Heterogeneous Platforms with Compilation to OpenCL
H. Riebler, G.F. Vaz, T. Kenter, C. Plessl, ACM Trans. Archit. Code Optim. (TACO) 16 (2019) 14:1–14:26.

A General Algorithm to Calculate the Inverse Principal p-th Root of Symmetric Positive Definite Matrices
D. Richters, M. Lass, A. Walther, C. Plessl, T. Kühne, Communications in Computational Physics 25 (2019) 564–585.

FPGAs im Rechenzentrum
M. Platzner, C. Plessl, Informatik Spektrum (2019).

Using Approximate Computing for the Calculation of Inverse Matrix p-th Roots
M. Lass, T. Kühne, C. Plessl, Embedded Systems Letters 10 (2018) 33–36.