Courseware

Introduction

Introduction & logistics
Google colab
Molecular dynamics simulation basics

Quantum Molecular Dynamics (QMD), QXMD Software

QMD lecture
QXMD tutorial
QXMD hands-on notebook

Reactive Molecular Dynamics (RMD), RXMD Software

RMD lecture
RXMD tutorial
RXMD hands-on notebook

Machine Learning (ML)

ML lecture
ML hands-on notebook 1: MLP
ML hands-on notebook 2: CNN

Miscellaneous

Participant introduction template