Concepedia

PXLink: A simulation program of polymer crosslinking to study of polyamide membrane

Chi Zhang, Guangle Bu, Md Symon Jahan Sajib, Lida Meng, Shiying Xu, Size Zheng, Lin Zhang, Tao Wei

Computer Physics Communications · 2023 · 26 citations · 61 references

DOI

Concepts

References

61

Matplotlib: A 2D Graphics Environment

John D. Hunter · Computing in Science & Engineering · 2007 · 39.6K citations

, , +17

Array programming with NumPy

Nature · 2020 · 22.3K citations · Full text

, , +10

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 · 16K citations · Full text

, , +17

LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Aidan P. Thompson, Hasan Metin Aktulga, Richard Berger et al. · Computer Physics Communications · 2021 · 11.5K citations · Full text

, , +16

P<scp>ACKMOL</scp>: A package for building initial configurations for molecular dynamics simulations

Ricardo Andrade, Ernesto G. Birgin, J. M. Martı́nez · Journal of Computational Chemistry · 2009 · 9.4K citations · Full text

, , +17