Highlights:

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

Prof. Thomas Kühne

On July 13th at 13:00 (CLT, GMT/UTC -4 hours) Prof. Dr. Thomas Kühne from Paderborn University, Germany will give a webinar about the Open Source software CP2K used to study the dynamics of condensed matter. Interested in attending the webinar please write an email to qcmm[at]udec.cl asking for the zoom link of the webinar. Interested in watching the webinar please use the attached link.

News

05-Jul-2021

Dr. Stefan Vogt-Geisse and Giulia Bovolenta had a successful participation in the Chemistry in Star Forming Regions conference in Torino/Italy

Giulia presented a poster with the title: High level ab initio binding energies of Molecules on interstellar ices, and Stefan gave a talk about the new Binding Energy Evaluation Platform (BEEP).

News

28-Sep-2021