GALAMOST: GPU-accelerated large-scale molecular simulation toolkit

Abstract

A new molecular simulation toolkit composed of some lately developed force fields and specified models is presented to study the self-assembly, phase transition, and other properties of polymeric systems at mesoscopic scale by utilizing the computational power of GPUs. In addition, the hierarchical self-assembly of soft anisotropic particles and the problems related to polymerization can be studied by corresponding models included in this toolkit.

References in corpus (2)

• Self-Assembly of Patchy Particles into Diamond Structures through Molecular Mimicry
• Dynamic Compression of in situ Grown Living Polymer Brush: Simulation and Experiment

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• Automated Determination of Hybrid Particle-Field Parameters by Machine Learning
• Two-Dimensional Melting of two- and three-component mixtures
• The ENUF Method -- Ewald Summation based on Non-Uniform Fast Fourier Transform: Implementation, Parallelization, and Application
• Dynamics in two-dimensional glassy systems of crowded Penrose kites