C. Teijeiro Barjas, T. Hammerschmidt, R. Drautz, et al. Optimized parallel simulations of analytic bond-order potentials on hybrid shared/distributed memory with MPI and OpenMP International Journal of High Performance Computing Applications 33 227-241 (2019) abstract

T. Hammerschmidt, B. Seiser, M. Ford, et al. BOPfox program for tight-binding and analytic bond-order potential calculations Computer Physics Communications 235 221-233 (2019) abstract

H. Ganesan, Highly parallel molecular dynamics/Monte Carlo coupling towards solutes segregation modeling PhD Thesis Ruhr-Universität Bochum abstract

H. Ganesan, C. Teijeiro Barjas, G. Sutmann, Parallelization comparison and optimization of a scale-bridging framework to model Cottrell atmospheres Computational Materials Science 155 439-449 (2018) abstract

C. Schwarze, R. Darvishi Kamachali, C. Mießen, et al. Computationally efficient phase-field simulation studies using RVE sampling and statistical analysis Computational Materials Science 147 204-216 (2018) abstract

M. Tegeler, Massively parallel multiphase field simulations PhD Thesis Ruhr-Universität Bochum abstract

G. Sutmann, H. Ganesan, C. Begau, Cluster formation in stochastic disk systems AIP Conference Proceedings 1863 560089 (2017) abstract

M. Tegeler, A. Monas, O. Shchyglo, et al. Effect of microstructure during dendritic solidification on melt flow: A phase-field lattice-Boltzmann study Proceedings of the 6th Decennial International Conference on Solidification Processing (2017) abstract

M. Tegeler, O. Shchyglo, R. Darvishi Kamachali, et al. Parallel multiphase field simulations with OpenPhase Computer Physics Communications 215 173 - 187 (2017) abstract

C. Teijeiro Barjas, H. Ganesan, R. Halver, et al. Towards a flexible cell-based framework for parallel scale-bridging simulations in materials science: A first case study Proceedings of the 5th International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering, Hungary Paper 24 (2017) abstract

E. Borukhovich, M. Boeff, A. Monas, et al. Full-field simulation of solidification and forming of polycrystals MATEC Web of Conferences 80 02014 (2016) abstract

C. Teijeiro Barjas, T. Hammerschmidt, R. Drautz, et al. Efficient parallelization of analytic bond-order potentials for large-scale atomistic simulations Computer Physics Communications 204 64-73 (2016) abstract

C. Teijeiro Barjas, T. Hammerschmidt, B. Seiser, et al. Complexity analysis of simulations with analytic bond-order potentials Modelling and Simulation in Materials Science and Engineering 24 025008 (2016) abstract

T. Wang, C. Begau, G. Sutmann, et al. Large scale molecular dynamics simulation of microstructure formation during thermal spraying of pure copper Surface and Coatings Technology 280 72-80 (2015) abstract

A. Monas, O. Shchyglo, D. Höche, et al. Dual-scale phase-field simulation of Mg-Al alloy solidification IOP Conference Series: Materials Science and Engineering 84 012069 (2015) abstract

J. Zhang, C. Begau, L. Geng, et al. Atomistic investigation of wear mechanisms of a copper bi-crystal Wear 332-333 941-948 (2015) abstract

C. Teijeiro Barjas, T. Hammerschmidt, R. Drautz, et al. Parallel bond order potentials for materials science simulations Proceedings of the 4^th International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering (2015) abstract

M. Tegeler, A. Monas, G. Sutmann, Massively parallel multiphase field simulations Proceedings of the 4^th International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering (2015) abstract

C. Begau, G. Sutmann, Adaptive dynamic load-balancing with irregular domain decomposition for particle simulations Computer Physics Communications 190 51-61 (2015) abstract

J. Amodeo, C. Begau, E. Bitzek, Atomistic simulations of compression tests on Ni₃Al nanocubes Materials Research Letters 2 140-145 (2014) abstract

P. S. Engels, C. Begau, S. Gupta, et al. Multiscale modelling of nanoindentation: from atomistic to continuum models Nanomechanical analysis of high performance materials SPRINGER SCIENCE + BUSINESS MEDIA, DORDRECHT 203 285-322 (2014) abstract

C. Begau, A. Hartmaier, Microstructural characterization of shape memory alloys on the atomic scale TMS 2014 Supplemental Proceedings 247-256 (2014) abstract

C. Teijeiro Barjas, G. Sutmann, G. L. Taboada, et al. Parallel simulation of Brownian dynamics on shared memory systems with OpenMP and Unified Parallel C Journal of Supercomputing 65 1050-1062 (2013) abstract

C. Teijeiro Barjas, G. Sutmann, G. L. Taboada, et al. Parallel Brownian dynamics simulations with the message-passing and PGAS programming models Computer Physics Communications 184 1191–1202 (2013) abstract

J. Pfetzing-Micklich, C. Somsen, A. Dlouhy, et al. On the crystallographic anisotropy of nanoindentation in pseudoelastic NiTi Acta Materialia 61 602-616 (2013) abstract

C. Begau, Characterization of crystal defects during molecular dynamics simulations of mechanical deformation PhD Thesis Ruhr-Universität Bochum abstract

C. Begau, J. Hua, A. Hartmaier, A novel approach to study dislocation density tensors and lattice-rotation patterns in atomistic simulations Journal of the Mechanics and Physics of Solids 60 711-722 (2012) abstract

C. Begau, A. Hartmaier, E.P. George, et al. Atomistic processes of dislocation generation and plastic deformation during nanoindentation Acta Materialia 59 934-942 (2011) abstract