Concepedia
Journal of Membrane Science · 2024 · 11 citations · 90 references
Open access
90
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 39.7K citations
Engineering, Electron Diffraction, Computational Chemistry +17
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
M Abraham, Teemu J. Murtola, Roland Schulz et al. · SoftwareX · 2015 · 25K citations · Full text
Massively-parallel Computing, Engineering, Computational Biology +12
GROMACS: Fast, flexible, and free
David van der Spoel, Erik Lindahl, Berk Hess et al. · Journal of Computational Chemistry · 2005 · 18.4K citations
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
Berk Hess, Carsten Kutzner, David van der Spoel et al. · Journal of Chemical Theory and Computation · 2008 · 15.8K citations
Cluster Computing, Engineering, Molecular Biology +21
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
Alexander Stukowski · Modelling and Simulation in Materials Science and Engineering · 2009 · 15.3K citations
Real-time Visualization, Engineering, Data Visualization +20