Schade R, Bauer C, Tamoev K, Mazur L, Plessl C, Kühne T. Parallel quantum chemistry on noisy intermediate-scale quantum computers. Phys Rev Research. 2022;4:033160. doi:10.1103/PhysRevResearch.4.033160
LibreCat: /record/33226
DOI: 10.1103/PhysRevResearch.4.033160

Schade R, Kenter T, Elgabarty H, et al. Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms. Parallel Computing. 2022;111. doi:10.1016/j.parco.2022.102920
LibreCat: /record/33684
DOI: 10.1016/j.parco.2022.102920

Meyer M, Kenter T, Plessl C. In-depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs using OpenCL. Journal of Parallel and Distributed Computing. Published online 2022. doi:10.1016/j.jpdc.2021.10.007
LibreCat: /record/27364
DOI: 10.1016/j.jpdc.2021.10.007

Moroder M, Grundner M, Damanet F, et al. Stable bipolarons in open quantum systems. Physical Review B 107, 214310 (2023). Published online 2022. doi:10.1103/PhysRevB.107.214310
LibreCat: /record/50146
DOI: 10.1103/PhysRevB.107.214310
arXiv: 2207.08243

Borghini N, Borrell M, Feld N, Roch H, Schlichting S, Werthmann C. Statistical analysis of initial state and final state response in  heavy-ion collisions. Phys Rev C 107 (2023) 034905. Published online 2022. doi:10.1103/PhysRevC.107.034905
LibreCat: /record/50148
DOI: 10.1103/PhysRevC.107.034905
arXiv: 2209.01176

Lesch E, Schilling MT, Brenner S, et al. Plant mitochondrial RNA editing factors can perform targeted C-to-U editing of nuclear transcripts in human cells. Nucleic Acids Research. 2022;50(17):9966-9983. doi:10.1093/nar/gkac752
LibreCat: /record/50149
DOI: 10.1093/nar/gkac752

Menzel J, Plessl C, Kenter T. The Strong Scaling Advantage of FPGAs in HPC for N-body Simulations. ACM Transactions on Reconfigurable Technology and Systems. 2021;15(1):1-30. doi:10.1145/3491235
LibreCat: /record/28099
DOI: 10.1145/3491235

Dabelow L, Bo S, Eichhorn R. How irreversible are steady-state trajectories of a trapped active particle? Journal of Statistical Mechanics: Theory and Experiment. 2021;2021(3). doi:10.1088/1742-5468/abe6fd
LibreCat: /record/32243
DOI: 10.1088/1742-5468/abe6fd

Kaczmarek O, Mazur L, Sharma S. 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. Physical Review D. 2021;104(9). doi:10.1103/physrevd.104.094518
LibreCat: /record/46122
DOI: 10.1103/physrevd.104.094518

Altenkort L, Eller AM, Kaczmarek O, Mazur L, Moore GD, Shu H-T. Heavy quark momentum diffusion from the lattice using gradient flow. Physical Review D. 2021;103(1). doi:10.1103/physrevd.103.014511
LibreCat: /record/46124
DOI: 10.1103/physrevd.103.014511

Altenkort L, Eller AM, Kaczmarek O, Mazur L, Moore GD, Shu H-T. Sphaleron rate from Euclidean lattice correlators: An exploration. Physical Review D. 2021;103(11). doi:10.1103/physrevd.103.114513
LibreCat: /record/46123
DOI: 10.1103/physrevd.103.114513

Alhaddad S, Förstner J, Groth S, et al. The HighPerMeshes framework for numerical algorithms on unstructured grids. Concurrency and Computation: Practice and Experience. Published online 2021:e6616. doi:10.1002/cpe.6616
LibreCat: /record/24788
DOI: 10.1002/cpe.6616

Chatwell RS, Guevara-Carrion G, Gaponenko Y, Shevtsova V, Vrabec J. Diffusion of the carbon dioxide–ethanol mixture in the extended critical region. Physical Chemistry Chemical Physics. 2021;23(4):3106-3115. doi:10.1039/d0cp04985a
LibreCat: /record/32240
DOI: 10.1039/d0cp04985a

Mirhosseini H, Kormath Madam Raghupathy R, Sahoo SK, Wiebeler H, Chugh M, Kühne TD. In silico investigation of Cu(In,Ga)Se<sub>2</sub>-based solar cells. Physical Chemistry Chemical Physics. 2020;22(46):26682-26701. doi:10.1039/d0cp04712k
LibreCat: /record/32246
DOI: 10.1039/d0cp04712k

Kühne T, Iannuzzi M, Ben MD, et al. CK: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. The Journal of Chemical Physics. 2020;152(19). doi:10.1063/5.0007045
LibreCat: /record/16277
DOI: 10.1063/5.0007045
arXiv: 2003.03868

Rengaraj V, Lass M, Plessl C, Kühne T. Accurate Sampling with Noisy Forces from Approximate Computing. Computation. 2020;8(2). doi:10.3390/computation8020039
LibreCat: /record/12878
DOI: 10.3390/computation8020039
arXiv: 1907.08497

Riebler H, Vaz GF, Kenter T, Plessl C. Transparent Acceleration for Heterogeneous Platforms with Compilation to OpenCL. ACM Trans Archit Code Optim (TACO). 2019;16(2):14:1–14:26. doi:10.1145/3319423
LibreCat: /record/7689
DOI: 10.1145/3319423

Richters D, Lass M, Walther A, Plessl C, Kühne T. A General Algorithm to Calculate the Inverse Principal p-th Root of Symmetric Positive Definite Matrices. Communications in Computational Physics. 2019;25(2):564-585. doi:10.4208/cicp.OA-2018-0053
LibreCat: /record/21
DOI: 10.4208/cicp.OA-2018-0053
arXiv: 1703.02456

Platzner M, Plessl C. FPGAs im Rechenzentrum. Informatik Spektrum. Published online 2019. doi:10.1007/s00287-019-01187-w
LibreCat: /record/12871
DOI: 10.1007/s00287-019-01187-w

Lass M, Kühne T, Plessl C. Using Approximate Computing for the Calculation of Inverse Matrix p-th Roots. Embedded Systems Letters. 2018;10(2):33-36. doi:10.1109/LES.2017.2760923
LibreCat: /record/20
DOI: 10.1109/LES.2017.2760923
arXiv: 1703.02283