ChE-609(1) / 1 credit

Teacher(s): Smit Berend, Lecturers (see below)

Language: English

Remark: Next time May 4-8 2020 This course as three modules that can each be followed separately.


Frequency

Every year

Summary

This course will have three components: Molecular Simulation, Electronic Laboratory Notebooks, and Machine learning. The focus of the course is applications to microporous materials (metal organic frameworks, zeolites, covalent organic frameworks) and is aimed at non-computational chemists.

Content

Keywords

machine learning, molecular simulation, electronic laboratory notebooks

Learning Prerequisites

Required courses

Learning Prerequisites:

basic thermodynamics and some basic knowledge on computational methods (e.g., Matlab or programming)

Learning Outcomes

By the end of the course, the student must be able to:

  • Apply and to understand some of the computational methods discussed in the course.

Resources

Bibliography

To be provided

In the programs

  • Exam form: Project report (session free)
  • Subject examined: Computational methods in Chemistry and Chemical Engineering-Computational Carpentry and online materials
  • Lecture: 7 Hour(s)
  • Exercises: 14 Hour(s)

Reference week

 MoTuWeThFr
8-9     
9-10     
10-11     
11-12     
12-13     
13-14     
14-15     
15-16     
16-17     
17-18     
18-19     
19-20     
20-21     
21-22