Projects

Updated 9 months ago

lindemann • Rank 9.1 • Science 77%

lindemann is a python package to calculate the Lindemann index of a lammps trajectory

analysis cheminformatics chemistry chemoinformatics gromacs lammps lammps-trajectory lindemann lindemann-index md-simulation molecular-dynamics ovito phase-transition phase-transitions simulation temperature-ramps transition-phase

Updated 9 months ago

ising-model-mcmc-algorithms-and-magnetic-phase-change • Science 44%

Using the Ising Model and a Monte-Carlo Markov Chain Approach to Illustrate Magnetic Phase Transition

curie-temperature ising-model-2d mcmc-methods monte-carlo-markov-chain monte-carlo-simulation paramagnetic-square-lattice phase-transition

Updated 9 months ago

https://github.com/leseixas/blendpy • Science 26%

Computational toolkit for investigating thermodynamic models of alloys using first-principles calculations

alloy materials-informatics materials-science phase-transition python3 thermodynamics

ecosyste.ms

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Open Source Science

lindemann • Rank 9.1 • Science 77%

ising-model-mcmc-algorithms-and-magnetic-phase-change • Science 44%

https://github.com/leseixas/blendpy • Science 26%