Concepedia

Computational Curriculum for MatSE Undergraduates

Alina Kononov, Pascal Bellon, Timothy Bretl, Andrew L. Ferguson, Geoffrey Herman, K. Kilian, Jessica A. Krogstad, Cecília Leal, Robert Maass, André Schleife,

2018 · 13 citations · 20 references

DOIFull text

Open access

Concepts

Abstract

During his doctoral work, Robert designed

References

20

Fast Parallel Algorithms for Short-Range Molecular Dynamics

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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi, Stefano Baroni, Nicola Bonini et al. · Journal of Physics Condensed Matter · 2009 · 28.8K citations · Full text

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Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool

Alexander Stukowski · Modelling and Simulation in Materials Science and Engineering · 2009 · 16.1K citations

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GROMACS: A message-passing parallel molecular dynamics implementation

Herman J. C. Berendsen, David van der Spoel, Rudi van Drunen · Computer Physics Communications · 1995 · 10.5K citations

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Thermo-Calc & DICTRA, computational tools for materials science

J. Y. Andersson, Thomas Helander, Lars Höglund et al. · Calphad · 2002 · 4.2K citations

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