Resources

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.

Github

21-May-2021

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

12-Apr-2021

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

11-Apr-2021