Quantum
Quantum MAPS-plugins allow to explore chemical reactions in gas and solid phases and predict many properties of these systems, making possible characterization of single molecules used in chemical. Industry possible, for molecular electronics as well as for complex alloys and catalysts.
OPENMX Plugin
OpenMX is a software package for nano-scale material simulations based on density functional theories (DFT), norm-conserving pseudo-potentials and pseudo-atomic localized basis functions. OpenMX implements Order-N techniques allowing the realization of large-scale ab initio electronic structure calculations possible.
QUANTUM ESPRESSO Plugin
A versatile package for first principles periodic quantum calculations of materials and nano system properties
ABINIT Plugin
A versatile package for first principles periodic quantum calculations of materials and nano system properties
NWChem Plugin
An ab initio software for studying chemical reactions, structural, electronic and other molecular properties
MNDO Plugin
A semi-empirical quantum package for studying chemical reactions, structural, electronic and many other molecular properties
TRANSITION STATE LOCATOR Plugin
Locate transition states on the potential energy surface of molecules and solids to predict reaction pathways
TURBOMOLE / VASP / MOPAC GUIs
GUIs for ab initio TURBOMOLE, VASP software and for MOPAC semiempirical based quantum simulations tool. for studying chemical reactions, structural, electronic and other molecular properties