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.

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

MNDO Plugin

A semi-empirical quantum package for studying chemical reac¬tions, structural, electronic and many other molecular properties

NWChem Plugin

An ab initio software for studying chemical reactions, structural, electronic and other molecular properties

TRANSITION STATE LOCATOR Plugin

Locate transition states on the potential energy surface of mol¬ecules 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