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Simple support is provided for the commercial VASP code. You need to provide your own binary and VASP license. Easy installation with downloadable binaries for Windows, Mac, and Linux Graphical user interface to set up, run, monitor, visualize and analyze jobs Run jobs on your laptop, desktop PC or a high-performance computing cluster Python interface for advanced workflows, job management, and analysis Try the complete Amsterdam Modeling Suite for 30 days for free.

Modules in the Amsterdam Modeling Suite Learn more A powerful density functional theory program for molecules, particularly strong in spectroscopy and inorganic chemistry. MLPotential Tutorial Learn more Reactive force field for large-scale molecular dynamics simulations with chemical reactions.

Many ReaxFF force fields and analysis tools. It helps you explore the potential energy surface of your system for molecules as well as periodic systems, for example through Geometry optimizations, with or without constraints Advanced potential energy surface scans Transition state searches , reaction barrier calculations Equilibrium and non-equilibrium molecular dynamics simulations Grand-Canonical Monte Carlo Vibrational normal modes and phonons All features tasks and properties can be applied to external programs as well.

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