User Guide

This guide explains how to build and analyze your atomistic models.

Build Guide

Automate the construction of complex atomistic systems, from simple crystal bulks to intricate solid-liquid interfaces.

Building Systems

Building Systems

Analysis Guide

Extract physical properties from molecular dynamics simulations.

Analyzing MD Trajectories

Analyzing MD Trajectories

Force Field Database

Explore the force field database and find parameters for your system.

Force Field Database

Force Field Database

Tutorial

Building a calcite surface slab from COD.

Tutorial: Building a Calcite (10\overline{1}4) Surface Slab from COD

Tutorial

Applying topology and forcefield parameters to a calcite surface slab.

Tutorial: Building Topology and Apply Forcefield parameters for Calcite

Tutorial

Solvating caffeine in an NaCl solution, topology and force field included.

Tutorial: Solvating Caffeine in Saline Water, Force Field Included

Tutorial

Opening a nanopore in a C-S-H matrix and filling it with an alkaline pore solution.

Tutorial: A C-S-H Nanopore Filled with an Alkaline Pore Solution