Static and Dynamic Properties of Curved Vapour-Liquid Interfaces by Massively Parallel Molecular Dynamics Simulation. - Martin Thomas Horsch; Svetlana Miroshnichenko; Jadran Vrabec; Colin W. Glass; Christoph Niethammer; Martin F. Bernreuther; Erich A. Müller; George Jackson (CHPC, 2010)

TEMANEJO - a debugger for task based parallel programming models. - Steffen Brinkmann; José Gracia; Christoph Niethammer; Rainer Keller (PARCO, 2011)

Temanejo: Debugging of Thread-Based Task-Parallel Programs in StarSS. - Rainer Keller; Steffen Brinkmann; José Gracia; Christoph Niethammer (Parallel Tools Workshop, 2011)

Protable Codes on New HPC Architectures. - Mhd. Amer Wafai; Colin W. Glass; Christoph Niethammer (Facing the Multicore-Challenge, 2012)

Hybrid MPI/StarSs - A Case Study. - José Gracia; Christoph Niethammer; Manuel Hasert; Steffen Brinkmann; Rainer Keller; Colin W. Glass (ISPA, 2012)

Avoiding Serialization Effects in Data / Dependency Aware Task Parallel Algorithms for Spatial Decomposition. - Christoph Niethammer; Colin W. Glass; José Gracia (ISPA, 2012)

Task Debugging with TEMANEJO. - Steffen Brinkmann; José Gracia; Christoph Niethammer (Parallel Tools Workshop, 2012)

591 TFLOPS Multi-trillion Particles Simulation on SuperMUC. - Wolfgang Eckhardt; Alexander Heinecke; Reinhold Bader; Matthias Brehm; Nicolay Hammer; Herbert Huber; Hans-Georg Kleinhenz; Jadran Vrabec; Hans Hasse; Martin Horsch; Martin Bernreuther; Colin W. Glass; et al. (ISC, 2013)

Computational Molecular Engineering as an Emerging Technology in Process Engineering. - Martin Horsch; Christoph Niethammer; Jadran Vrabec; Hans Hasse (it Inf. Technol., 2013)

Programmability and portability for exascale: Top down programming methodology and tools with StarSs. - Vladimir Subotic; Steffen Brinkmann; Vladimir Marjanovic; Rosa M. Badia; José Gracia; Christoph Niethammer; Eduard Ayguadé; Jesús Labarta; Mateo Valero (J. Comput. Sci., 2013)

A Cloud-Based Data Farming Platform for Molecular Dynamics Simulations. - Dariusz Król 002; Michal Orzechowski; Jacek Kitowski; Christoph Niethammer; Anthony Sulisto; Amer Wafai (UCC, 2014)

ls1 mardyn: The massively parallel molecular dynamics code for large systems. - Christoph Niethammer; Stefan Becker; Martin Bernreuther; Martin Buchholz; Wolfgang Eckhardt; Alexander Heinecke; Stephan Werth; Hans-Joachim Bungartz; Colin W. Glass; Hans Hasse; Jadran Vrabec; Martin Horsch (CoRR, 2014)

A Bandwidth-Saving Optimization for MPI Broadcast Collective Operation. - Huan Zhou 005; Vladimir Marjanovic; Christoph Niethammer; José Gracia (ICPP Workshops, 2015)

Performance Evaluation of Unified Parallel C for Molecular Dynamics. - Kamran Idrees; Christoph Niethammer; Aniello Esposito; Colin W. Glass (CoRR, 2016)

An MPI interface for application and hardware aware cartesian topology optimization. - Christoph Niethammer; Rolf Rabenseifner (EuroMPI, 2019)

Semantic interoperability and characterization of data provenance in computational molecular engineering. - Martin Thomas Horsch; Christoph Niethammer; Gianluca Boccardo; Paola Carbone; Silvia Chiacchiera; Mara Chiricotto; Joshua D. Elliott; Vladimir Lobaskin; Philipp Neumann; Matthew Schiffels; Michael Seaton 001; Ilian T. Todorov; et al. (CoRR, 2019)

TweTriS: Twenty trillion-atom simulation. - Nikola Tchipev; Steffen Seckler; Matthias Heinen; Jadran Vrabec; Fabio Alexander Gratl; Martin Horsch; Martin Bernreuther; Colin W. Glass; Christoph Niethammer; Nicolay Hammer; Bernd Krischok; Michael Resch 001; et al. (Int. J. High Perform. Comput. Appl., 2019)

Fibers are not (P)Threads: The Case for Loose Coupling of Asynchronous Programming Models and MPI Through Continuations. - Joseph Schuchart; Christoph Niethammer; José Gracia (EuroMPI, 2020)

Feasibility Study of Molecular Dynamics Kernels Exploitation Using EngineCL. - Raúl Nozal; Christoph Niethammer; José Gracia; José Luis Bosque (Euro-Par Workshops, 2021)

Quo Vadis MPI RMA? Towards a More Efficient Use of MPI One-Sided Communication. - Joseph Schuchart; Christoph Niethammer; José Gracia; George Bosilca (CoRR, 2021)

Container orchestration on HPC systems through Kubernetes. - Naweiluo Zhou; Yiannis Georgiou; Marcin Pospieszny; Li Zhong; Huan Zhou 005; Christoph Niethammer; Branislav Pejak; Oskar Marko; Dennis Hoppe (J. Cloud Comput., 2021)

Callback-based completion notification using MPI Continuations. - Joseph Schuchart; Philipp Samfass; Christoph Niethammer; José Gracia; George Bosilca (Parallel Comput., 2021)

Leveraging the Compute Power of Two HPC Systems for Higher-Dimensional Grid-Based Simulations with the Widely-Distributed Sparse Grid Combination Technique. - Theresa Pollinger; Alexander Van Craen; Christoph Niethammer; Marcel Breyer; Dirk Pflüger (SC, 2023)

The EU Center of Excellence for Exascale in Solid Earth (ChEESE): Implementation, results, and roadmap for the second phase. - Arnau Folch; Claudia Abril; Michael Afanasiev; Giorgio Amati; Michael Bader; Rosa M. Badia; Hafize B. Bayraktar; Sara Barsotti; Roberto Basili 002; Fabrizio Bernardi; Christian Boehm; Beatriz Brizuela; et al. (Future Gener. Comput. Syst., 2023)

Concepts for scalable molecular dynamics simulations on future HPC systems. - Christoph Niethammer (2023)

Impact of Computational Load Balance and Power Capping on Energy Efficiency in HPC Centers. - Martin Rose; José Gracia; Christian Simmendinger; Andreas Ruopp; Ramil Nabiev; Christoph Niethammer (ISC Workshops, 2024)

Cyclic Data Streaming on GPUs for Short Range Stencils Applied to Molecular Dynamics. - Martin Rose; Simon Homes; Lukas Ramsperger; José Gracia; Christoph Niethammer; Jadran Vrabec (CoRR, 2025)