AmsterdamDensityFunctional

The SCM team is passionate about making computational chemistry work for you.
SCM's powerful computational chemistry tools, the Amsterdam Modeling Suite, is used by seasoned theoreticians as well as experimental researchers in all fields spanning chemistry, materials science & chemical engineering.

Here we feature some walk-throughs of our (periodic) DFT, DFTB and ReaxFF software tutorials, tips & tricks from our experts and web-presentations on advanced features. What do you want to model? Let us know!

Unlock Faster Transition State Verification in AMS: How to Use PESPointCharacterization

Unlock Faster Transition State Verification in AMS: How to Use PESPointCharacterization
Visualizing HOMO–LUMO Localization in DNA Bases with AMSlevels + DFTB

Visualizing HOMO–LUMO Localization in DNA Bases with AMSlevels + DFTB
Fast & Accurate Excited-State Calculations for PCBM: TDDFT vs sTDDFT in ADF | AMS

Fast & Accurate Excited-State Calculations for PCBM: TDDFT vs sTDDFT in ADF | AMS
Streamline Computational Workflows with Python in the Amsterdam Modeling Suite | AMS

Streamline Computational Workflows with Python in the Amsterdam Modeling Suite | AMS
Modeling Chemical Vapor Atomic Layer Deposition with the Amsterdam Modeling Suite | AMS

Modeling Chemical Vapor Atomic Layer Deposition with the Amsterdam Modeling Suite | AMS
Exciton Transfer Integrals with FOCDFT in ADF | Singlet and Triplet States | AMS

Exciton Transfer Integrals with FOCDFT in ADF | Singlet and Triplet States | AMS
Automating Reaction Pathway Discovery with AMS PESExploration | AMS

Automating Reaction Pathway Discovery with AMS PESExploration | AMS
AMS insights: Design Your Own Metal–Organic Frameworks (MOFs) with Autografs

AMS insights: Design Your Own Metal–Organic Frameworks (MOFs) with Autografs
Battery Modeling with the Amsterdam Modeling Suite (Confererence Reel)

Battery Modeling with the Amsterdam Modeling Suite (Confererence Reel)
Modelling OLED: From Molecule to Device in Data-driven R&D Acceleration | Bart Klumpers | BumbleBee

Modelling OLED: From Molecule to Device in Data-driven R&D Acceleration | Bart Klumpers | BumbleBee
Unraveling organic reactions with the Amsterdam Modeling Suite | Trevor A. Hamlin | AMS Webinar 2024

Unraveling organic reactions with the Amsterdam Modeling Suite | Trevor A. Hamlin | AMS Webinar 2024
A practical guide to GW-BSE and Sigma-functionals in AMS | Arno Förster | AMS Webinar Series 2024

A practical guide to GW-BSE and Sigma-functionals in AMS | Arno Förster | AMS Webinar Series 2024
Recent Advances in Modeling Surface-Enhanced Raman Scattering | Lasse Jensen | AMS Webinars 2024

Recent Advances in Modeling Surface-Enhanced Raman Scattering | Lasse Jensen | AMS Webinars 2024
AIMNet2 – A Robust Neural Network Potential | Roman Zubatyuk | AMS Webinars 2024

AIMNet2 – A Robust Neural Network Potential | Roman Zubatyuk | AMS Webinars 2024
Leverage Battery Research with the Amsterdam Modeling Suite | Nicolas Onofrio | AMS Webinars 2024

Leverage Battery Research with the Amsterdam Modeling Suite | Nicolas Onofrio | AMS Webinars 2024
Remote Queues With ADFJobs

Remote Queues With ADFJobs
How to run multiple PLAMS jobs through SLURM

How to run multiple PLAMS jobs through SLURM
Concentration dependent Li migration barriers in LiTiS2 with M3GNET Machine Learning potential

Concentration dependent Li migration barriers in LiTiS2 with M3GNET Machine Learning potential
Productivity: Make your own presets in the AMS GUI

Productivity: Make your own presets in the AMS GUI
Automatic discovery of transition states and local minima - Water splitting on the TiO2 surface

Automatic discovery of transition states and local minima - Water splitting on the TiO2 surface
AMS in the cloud: How to use the ThinLinc Server

AMS in the cloud: How to use the ThinLinc Server
Singlet-Triplet (S0 - T1) gap with spin-orbit qs-GW-Bethe−Salpeter Equation

Singlet-Triplet (S0 - T1) gap with spin-orbit qs-GW-Bethe−Salpeter Equation
Li ion reduction at the graphene surface with eReaxFF

Li ion reduction at the graphene surface with eReaxFF
Fast and accurate Li intercalation potentials in layered cathodes with machine learnig potentials

Fast and accurate Li intercalation potentials in layered cathodes with machine learnig potentials
NMR shielding, J-coupling and EFG analysis with NBOs available – Jochen Autschbach

NMR shielding, J-coupling and EFG analysis with NBOs available – Jochen Autschbach
Multiscale optimisation of OLED materials and devices with AMS and Bumblebee

Multiscale optimisation of OLED materials and devices with AMS and Bumblebee
Time Dependent Density Functional Theory + Tight Binding gradients – C.M. Aikens & S. Havenridge

Time Dependent Density Functional Theory + Tight Binding gradients – C.M. Aikens & S. Havenridge
Excitation energy calculations with (nearly) exact Kohn-Sham potentials – Evert Jan Baerends

Excitation energy calculations with (nearly) exact Kohn-Sham potentials – Evert Jan Baerends
Tribology: Friction coefficients via non-equilibrium molecular dynamics (NEMD) with AMS

Tribology: Friction coefficients via non-equilibrium molecular dynamics (NEMD) with AMS