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Computational chemistry integrated platform AMS (Amsterdam Modeling Suite)
Molsis Co., Ltd.

About This Product

■Summary

AMS -Amsterdam Modeling Suite- AMS (Amsterdam Modeling Suite) is an integrated computational chemistry package that includes the quantum chemistry calculation program ADF. ADF (Amsterdam Density Functional) uses density functional theory (DFT), which has a history of more than 30 years, and was developed mainly by the groups of Professor Baerends of the Vrije Universiteit Amsterdam in the Netherlands and Professor Ziegler of the University of Calgary in Canada. This is a quantum chemistry calculation program.

■Product composition

・Molecular system DFT calculation program ADF & ADF-GUI ・Periodic system DFT calculation program BAND & BAND-GUI ・Thermodynamic property calculation program COSMO-RS ・Reaction molecular dynamics calculation program ReaxFF ・Density functional tight binding calculation program DFTB ADF and BAND are fully equipped with basis functions for all elements in the periodic table, and are compatible with calculations in various environments such as in the gas phase, in solutions, on proteins, and on metal surfaces. ADF has the following features and is used in research in a wide range of fields.

■Features

- Abundant property calculation functions (IR, NMR, ESR, UV/Vis, CD, etc.) ・Stable SCF convergence in transition metal complexes ・Consideration of relativistic effects (Scalar, Spin-orbit) ・All-electron calculation (does not use pseudopotential/ECP) ・Atomic basis set using Slater-type orbitals

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    Computational chemistry integrated platform AMS (Amsterdam Modeling Suite)

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1 Models of Computational chemistry integrated platform AMS (Amsterdam Modeling Suite)

Image Part Number Price (excluding tax) Operating environment

AMS (Amsterdam Modeling Suite)

Available upon quote

PC Linux (64-bit)
Mac OS X 10.9 or later (64-bit)
Windows 10 (64-bit)

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About Company Handling This Product

Molsis Co., Ltd.

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