IOData: Python Library to Convert Quantum Chemistry File Formats

IOData is a HORTON 3 module for input/output of quantum chemistry file formats developed by the [QC-Devs Team] together with the QCMM group.



Undergraduate Teaching

The members of QCMM teach several undergarduate and graduate level phyiscal chemistry and programing clases courses. Some of those courses are:

Molecular Dynamics

Electroncic Structure and Chemical Reactivity

Physical Chemistry I (Thermodynamics)

Physical Chemistry III (Quantum Chemistry and Statisical Mecanics)

Elements of Physical Chemistry (Thermodynamics and Cinetics)

Introduction to Python Programing

Introduction to Python Programing with Applications in Chemistry

Teaching Material


Feynman high-preformance computing cluster:

Created in 2014, Feynman is composed of 9 computing nodes and 1 head node. The computing nodes are powered by intel Xenon and AMD processors. Of the 8 computing nodes 5 also include NVIDIA graphics processing units. In total, Feynman provides a computing power of 320 CPU cores and 16 GPUs paired with 1.2 TB of RAM and a storage capacitiy of 70 TB.

Hardware Resources