Videos: tutorials and web presentations

The videos are grouped into the categories Webinars (recent webinars given by the SCM developers), Applications (various advanced applications and older webinars) and Installation (how to install and configure AMS).

Check out our YouTube channel for a complete list and the latest videos. This includes a recent series of advanced features, tips & tricks by SCM experts.

Webinars

Webinars presented by the SCM experts on various topics.

Fitting ReaxFF force field parameters with CMA-ES

Epoxy polymers: Simulation of mechanical properties with ReaxFF – reactive molecular dynamics

Machine Learning Potentials in AMS2020

Effective Mass Tensors of Phosphorene with BAND

Molecular Dynamics in Quantum Chemistry: IR Spectra

AMS2018 – COSMO-RS new features: quick predictions & solvent optimization

Thermodynamic Properties for Polymer solutions with COSMO-RS(-SAC)

X-Ray Absorption Spectroscopy with ADF

Scripting workflows in Python with PLAMS

Tips for Transition States: Molecules on surfaces

Online hands-on workshop Amsterdam Modeling Suite: molecules – spectra, PES, TS

Tips & Tricks for finding transition states with the Amsterdam Modeling Suite

Realistic polymer structures with ReaxFF and the bond boost acceleration technique

Polymer Builder – Generating Polymers with the Amsterdam Modeling Suite

Efficient & Accurate Periodic DFT with BAND and QM/MM

AMS2020 new GUI features: AMSinput, Visualization, Molecular Dynamics

Tips & tricks for AMS2020 – how AMS can help speed up your ADF jobs

Advanced applications

A selection of videos including demonstrations of advanced applications, visualizations and more.

Sputtering quartz with Ar – reactive MD with ADF-ReaxFF

Battery Discharges with ReaxFF and GCMC

Making dimer configurations with DFTB for transfer integrals

Calculating the response of 2D semiconductor materials with TDCDFT

Demo of eReaxFF and Molecule Gun in ADF2017

ETS-NOCV: Advanced chemical bonding analysis

X-ray Photoelectron Spectra (XPS) with ADF

Ligand Field DFT for accurate XANES and other spectroscopic properties

Charge transport with NEGF + DFTB

Calculating UV/VIS and X-ray Absorption spectra with ADF, web presentation by Mauro Stener

ReaxFF Parameter Optimization with MCFF

Multi-scale (QM/MM and QM/QM) molecular dynamics with FlexMD

Hands-on presentation on using QUILD for QM/QM, QM/MM etc.

Workshop periodic systems: band structures, DOS, stress, GCMC, sputtering

Visualizing local temperature in ReaxFF simulations with ADFMovie

How to calculate charge transfer integrals with ADF: electron and hole mobility

Model lanthanide LED phosphors with LFDFT

Optimizing organic crystals with DFTB3-D3(BJ)

Simulating SERS with ADF

Charge Mobilities with Frozen Density Embedding

Most slides are available from the webinar pages.

Installation and configuration videos

Installation

Walk-through installation and configuration videos for Windows, MacOS and Linux.

Installing the Amsterdam Modeling Suite trial on Windows

Submitting ADF jobs to a remote Linux cluster from Windows

How to install the Amsterdam Modeling Suite Trial on MacOS

How to install the Amsterdam Modeling Suite Trial on Linux

Command line execution and scripting

Run AMS from the command line or setup your own workflows with PLAMS.

Scripting workflows in Python with PLAMS

command line scriptingADF Modeling Suite: multiple computational chemistry jobs

Running ADF from the command line on MacOS (python scripting)