MNDO

MNDO at a glance

MNDO is a semi-empirical code developed by Prof. Walter Thiel's group at Max-Planck-Institut für Kohlenforschung in Germany. MNDO includes several state-of-the-art semi-empirical methods such as MNDO, MNDO/d, AM1, PM3, OM1, OM2 and several others with specific parameterizations. MNDO enables the computation of structural, electronic and many physical properties of large systems. MNDO is suitable for studies in chemicals, materials and pharmaceutical industrial segments. Moreover, due to its intrinsic high performance MNDO can be used to generate many descriptors that can be used in statistical based approaches or to scan large molecular databases. Scientists can use MNDO for fast candidate, structure or transition state identification and perform high accuracy computations with full quantum treatment methods based software such Turbomole or ABINIT.

A PDF datasheet for MNDO is available here

MNDO in MAPS^®

The Materials and Processes Simulations (MAPS^®) platform is a user friendly environment for molecular modeling and simulations. Its plug-in based architecture enables scientists to use the best technology for a given problem. The MAPS^® platform runs on Linux, IRIX and Windows^®XP operating systems. MAPS^® includes a series of tools enabling the construction of molecular systems, finite and periodic, 3D visualization and other utilities. The MNDO user can quickly create a molecular system, using standard sketching tools or MAPS^®' builders, and set up calculations using the MNDO graphical user interface which gives access to many of MNDO advanced capabilities. Analysis tools and graphs available in MAPS^® enable an easy representation of MNDO results. MAPS^®' native client-server architecture allows to use the best computational resources available and run MNDO simulations on numerous operating systems. Finally, efficient interaction with office productivity software allows to produce quickly presentations and reports.

Company News

Scienomics and 3 other German companies for the NanoSISAM project
Nanotechnology is an expanding industry sector, withstanding also the current economic crisis...

MAPS 3.1 patch release
We are happy to inform you that MAPS 3.1^® patch is ready for download

Whats new in MAPS 3.1
MAPS 3.1^® introduce the Transition State Locator which is a stand-alone module which can drive transition state searches using Abinit, MNDO and Turbomole.

MAPS 3.0 has been released
A new major version of the Materials and Processing Simulation Platform MAPS^® has been released recently.